# generated using pymatgen data_Ba6Nb14Si4O47 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18155176 _cell_length_b 9.18155176 _cell_length_c 28.28056300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999826 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Nb14Si4O47 _chemical_formula_sum 'Ba12 Nb28 Si8 O94' _cell_volume 2064.67102903 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.58327700 0.01457300 1.0 Ba Ba1 1 0.60010200 0.00000000 0.29739800 1.0 Ba Ba2 1 0.58327700 0.58327700 0.51457300 1.0 Ba Ba3 1 0.41672300 0.41672300 0.01457300 1.0 Ba Ba4 1 0.60010200 0.60010200 0.79739800 1.0 Ba Ba5 1 0.41672300 0.00000000 0.51457300 1.0 Ba Ba6 1 0.39989800 0.00000000 0.79739800 1.0 Ba Ba7 1 0.39989800 0.39989800 0.29739800 1.0 Ba Ba8 1 0.00000000 0.39989800 0.79739800 1.0 Ba Ba9 1 0.00000000 0.41672300 0.51457300 1.0 Ba Ba10 1 0.58327700 0.00000000 0.01457300 1.0 Ba Ba11 1 0.00000000 0.60010200 0.29739800 1.0 Nb Nb12 1 0.21652100 0.00000000 0.94928500 1.0 Nb Nb13 1 0.66666700 0.33333300 0.41209400 1.0 Nb Nb14 1 0.00000000 0.76326300 0.58959300 1.0 Nb Nb15 1 0.00000000 0.78347900 0.44928500 1.0 Nb Nb16 1 0.00000000 0.25478300 0.36178500 1.0 Nb Nb17 1 0.74521700 0.74521700 0.36178500 1.0 Nb Nb18 1 0.76326300 0.76326300 0.08959300 1.0 Nb Nb19 1 0.78347900 0.78347900 0.94928500 1.0 Nb Nb20 1 0.25478300 0.25478300 0.86178500 1.0 Nb Nb21 1 0.74521700 0.00000000 0.86178500 1.0 Nb Nb22 1 0.00000000 0.23673700 0.08959300 1.0 Nb Nb23 1 0.78347900 0.00000000 0.44928500 1.0 Nb Nb24 1 0.33333300 0.66666700 0.91209400 1.0 Nb Nb25 1 0.23673700 0.00000000 0.08959300 1.0 Nb Nb26 1 0.23807800 0.00000000 0.22234300 1.0 Nb Nb27 1 0.76192200 0.76192200 0.22234300 1.0 Nb Nb28 1 0.21652100 0.21652100 0.44928500 1.0 Nb Nb29 1 0.25478300 0.00000000 0.36178500 1.0 Nb Nb30 1 0.00000000 0.74521700 0.86178500 1.0 Nb Nb31 1 0.00000000 0.23807800 0.22234300 1.0 Nb Nb32 1 0.66666700 0.33333300 0.91209400 1.0 Nb Nb33 1 0.00000000 0.21652100 0.94928500 1.0 Nb Nb34 1 0.76192200 0.00000000 0.72234300 1.0 Nb Nb35 1 0.00000000 0.76192200 0.72234300 1.0 Nb Nb36 1 0.23807800 0.23807800 0.72234300 1.0 Nb Nb37 1 0.76326300 0.00000000 0.58959300 1.0 Nb Nb38 1 0.23673700 0.23673700 0.58959300 1.0 Nb Nb39 1 0.33333300 0.66666700 0.41209400 1.0 Si Si40 1 0.66666700 0.33333300 0.21448200 1.0 Si Si41 1 0.66666700 0.33333300 0.59891700 1.0 Si Si42 1 0.66666700 0.33333300 0.71448200 1.0 Si Si43 1 0.33333300 0.66666700 0.09891700 1.0 Si Si44 1 0.66666700 0.33333300 0.09891700 1.0 Si Si45 1 0.33333300 0.66666700 0.59891700 1.0 Si Si46 1 0.33333300 0.66666700 0.71448200 1.0 Si Si47 1 0.33333300 0.66666700 0.21448200 1.0 O O48 1 0.00000000 0.28184700 0.15637900 1.0 O O49 1 0.81168400 0.81168400 0.87515400 1.0 O O50 1 0.69347900 0.51075600 0.23684500 1.0 O O51 1 0.82298400 0.82298400 0.72058300 1.0 O O52 1 0.00000000 0.18831600 0.87515400 1.0 O O53 1 0.00000000 0.17628200 0.59210600 1.0 O O54 1 0.00000000 0.82371800 0.09210600 1.0 O O55 1 0.52188500 0.83325000 0.44813500 1.0 O O56 1 0.00000000 0.81168400 0.37515400 1.0 O O57 1 0.17628200 0.00000000 0.59210600 1.0 O O58 1 0.18831600 0.18831600 0.37515400 1.0 O O59 1 0.82473900 0.31003700 0.36145000 1.0 O O60 1 0.51075600 0.81727700 0.73684500 1.0 O O61 1 0.81601500 0.51103100 0.57633000 1.0 O O62 1 0.69501700 0.18398500 0.57633000 1.0 O O63 1 0.31136500 0.47811500 0.44813500 1.0 O O64 1 0.00000000 0.23187200 0.43994800 1.0 O O65 1 0.17701600 0.17701600 0.22058300 1.0 O O66 1 0.51103100 0.81601500 0.57633000 1.0 O O67 1 0.81727700 0.30652100 0.23684500 1.0 O O68 1 0.82298400 0.00000000 0.22058300 1.0 O O69 1 0.47811500 0.31136500 0.44813500 1.0 O O70 1 0.66666700 0.33333300 0.65668400 1.0 O O71 1 0.21690400 0.00000000 0.01607000 1.0 O O72 1 0.30498300 0.48896900 0.57633000 1.0 O O73 1 0.81168400 0.00000000 0.37515400 1.0 O O74 1 0.68996300 0.17526100 0.86145000 1.0 O O75 1 0.66666700 0.33333300 0.15668400 1.0 O O76 1 0.68996300 0.51470200 0.36145000 1.0 O O77 1 0.00000000 0.76812800 0.93994800 1.0 O O78 1 0.69501700 0.51103100 0.07633000 1.0 O O79 1 0.51470200 0.82473900 0.86145000 1.0 O O80 1 0.28184700 0.00000000 0.15637900 1.0 O O81 1 0.31003700 0.82473900 0.36145000 1.0 O O82 1 0.30498300 0.81601500 0.07633000 1.0 O O83 1 0.48924400 0.18272300 0.23684500 1.0 O O84 1 0.51470200 0.68996300 0.36145000 1.0 O O85 1 0.51075600 0.69347900 0.23684500 1.0 O O86 1 0.30652100 0.48924400 0.73684500 1.0 O O87 1 0.16675000 0.47811500 0.94813500 1.0 O O88 1 0.30652100 0.81727700 0.23684500 1.0 O O89 1 0.18398500 0.48896900 0.07633000 1.0 O O90 1 0.83325000 0.31136500 0.94813500 1.0 O O91 1 0.47811500 0.16675000 0.94813500 1.0 O O92 1 0.00000000 0.21690400 0.01607000 1.0 O O93 1 0.76812800 0.00000000 0.93994800 1.0 O O94 1 0.00000000 0.71815300 0.65637900 1.0 O O95 1 0.78222600 0.00000000 0.79640600 1.0 O O96 1 0.17701600 0.00000000 0.72058300 1.0 O O97 1 0.23187200 0.00000000 0.43994800 1.0 O O98 1 0.82371800 0.00000000 0.09210600 1.0 O O99 1 0.17628200 0.17628200 0.09210600 1.0 O O100 1 0.33333300 0.66666700 0.65668400 1.0 O O101 1 0.51103100 0.69501700 0.07633000 1.0 O O102 1 0.33333300 0.66666700 0.15668400 1.0 O O103 1 0.16675000 0.68863500 0.44813500 1.0 O O104 1 0.71815300 0.00000000 0.65637900 1.0 O O105 1 0.00000000 0.78309600 0.51607000 1.0 O O106 1 0.68863500 0.52188500 0.94813500 1.0 O O107 1 0.31003700 0.48529800 0.86145000 1.0 O O108 1 0.17526100 0.68996300 0.86145000 1.0 O O109 1 0.28184700 0.28184700 0.65637900 1.0 O O110 1 0.00000000 0.21777400 0.29640600 1.0 O O111 1 0.18272300 0.48924400 0.23684500 1.0 O O112 1 0.21690400 0.21690400 0.51607000 1.0 O O113 1 0.00000000 0.82298400 0.22058300 1.0 O O114 1 0.81601500 0.30498300 0.07633000 1.0 O O115 1 0.71815300 0.71815300 0.15637900 1.0 O O116 1 0.78309600 0.00000000 0.51607000 1.0 O O117 1 0.82371800 0.82371800 0.59210600 1.0 O O118 1 0.78309600 0.78309600 0.01607000 1.0 O O119 1 0.48896900 0.30498300 0.57633000 1.0 O O120 1 0.21777400 0.21777400 0.79640600 1.0 O O121 1 0.31136500 0.83325000 0.94813500 1.0 O O122 1 0.82473900 0.51470200 0.86145000 1.0 O O123 1 0.18398500 0.69501700 0.57633000 1.0 O O124 1 0.48529800 0.17526100 0.36145000 1.0 O O125 1 0.83325000 0.52188500 0.44813500 1.0 O O126 1 0.81727700 0.51075600 0.73684500 1.0 O O127 1 0.00000000 0.78222600 0.79640600 1.0 O O128 1 0.48529800 0.31003700 0.86145000 1.0 O O129 1 0.18272300 0.69347900 0.73684500 1.0 O O130 1 0.17526100 0.48529800 0.36145000 1.0 O O131 1 0.18831600 0.00000000 0.87515400 1.0 O O132 1 0.52188500 0.68863500 0.94813500 1.0 O O133 1 0.00000000 0.17701600 0.72058300 1.0 O O134 1 0.76812800 0.76812800 0.43994800 1.0 O O135 1 0.23187200 0.23187200 0.93994800 1.0 O O136 1 0.69347900 0.18272300 0.73684500 1.0 O O137 1 0.68863500 0.16675000 0.44813500 1.0 O O138 1 0.48924400 0.30652100 0.73684500 1.0 O O139 1 0.48896900 0.18398500 0.07633000 1.0 O O140 1 0.21777400 0.00000000 0.29640600 1.0 O O141 1 0.78222600 0.78222600 0.29640600 1.0