# generated using pymatgen data_CaPr8Lu11Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39709689 _cell_length_b 7.74415496 _cell_length_c 14.63087070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.01433080 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPr8Lu11Si16 _chemical_formula_sum 'Ca1 Pr8 Lu11 Si16' _cell_volume 838.11864199 _cell_formula_units_Z 1 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 Ca Ca0 1 0.66126340 0.98902717 0.75000000 1.0 Pr Pr1 1 0.01479155 0.17488807 0.40179966 1.0 Pr Pr2 1 0.51493621 0.32537373 0.40127713 1.0 Pr Pr3 1 0.48403428 0.67729426 0.90235973 1.0 Pr Pr4 1 0.48403428 0.67729426 0.59764027 1.0 Pr Pr5 1 0.98296981 0.82448960 0.59692846 1.0 Pr Pr6 1 0.98296981 0.82448960 0.90307154 1.0 Pr Pr7 1 0.51493621 0.32537373 0.09872287 1.0 Pr Pr8 1 0.01479155 0.17488807 0.09820034 1.0 Lu Lu9 1 0.32872740 0.17863348 0.62272523 1.0 Lu Lu10 1 0.67384641 0.82153155 0.37501031 1.0 Lu Lu11 1 0.17387182 0.67715202 0.37564052 1.0 Lu Lu12 1 0.82647865 0.32060965 0.87754219 1.0 Lu Lu13 1 0.82647865 0.32060965 0.62245781 1.0 Lu Lu14 1 0.83957484 0.49237696 0.25000000 1.0 Lu Lu15 1 0.33916838 0.00696996 0.25000000 1.0 Lu Lu16 1 0.32872740 0.17863348 0.87727477 1.0 Lu Lu17 1 0.17387182 0.67715202 0.12435948 1.0 Lu Lu18 1 0.67384641 0.82153155 0.12498969 1.0 Lu Lu19 1 0.16004020 0.50726980 0.75000000 1.0 Si Si20 1 0.26991632 0.88172531 0.75000000 1.0 Si Si21 1 0.46757105 0.62000629 0.25000000 1.0 Si Si22 1 0.04120870 0.12323166 0.75000000 1.0 Si Si23 1 0.53275454 0.38725210 0.75000000 1.0 Si Si24 1 0.15153361 0.46735596 0.53937897 1.0 Si Si25 1 0.96854181 0.87998617 0.25000000 1.0 Si Si26 1 0.71732299 0.11999862 0.25000000 1.0 Si Si27 1 0.84880388 0.53323249 0.03944035 1.0 Si Si28 1 0.34917657 0.96650316 0.03978322 1.0 Si Si29 1 0.15153361 0.46735596 0.96062103 1.0 Si Si30 1 0.65226801 0.03549344 0.53382452 1.0 Si Si31 1 0.34917657 0.96650316 0.46021678 1.0 Si Si32 1 0.84880388 0.53323249 0.46055965 1.0 Si Si33 1 0.78267736 0.60723977 0.75000000 1.0 Si Si34 1 0.21708502 0.37980236 0.25000000 1.0 Si Si35 1 0.65226801 0.03549344 0.96617548 1.0