# generated using pymatgen data_Nb2Si(Ni2P)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.95280885 _cell_length_b 8.95280959 _cell_length_c 3.47250405 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999728 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Si(Ni2P)6 _chemical_formula_sum 'Nb2 Si1 Ni12 P6' _cell_volume 241.04163508 _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 Nb Nb0 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb1 1 0.33333300 0.66666700 0.00000000 1.0 Si Si2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.11380283 0.82988109 0.00000000 1.0 Ni Ni4 1 0.39540462 0.43542382 0.50000000 1.0 Ni Ni5 1 0.71607827 0.88619717 0.00000000 1.0 Ni Ni6 1 0.56457618 0.95997980 0.50000000 1.0 Ni Ni7 1 0.21477187 0.08182957 0.50000000 1.0 Ni Ni8 1 0.86705871 0.78522813 0.50000000 1.0 Ni Ni9 1 0.91817043 0.13294129 0.50000000 1.0 Ni Ni10 1 0.94347199 0.36990382 0.00000000 1.0 Ni Ni11 1 0.63009618 0.57356817 0.00000000 1.0 Ni Ni12 1 0.42643183 0.05652801 0.00000000 1.0 Ni Ni13 1 0.04002020 0.60459538 0.50000000 1.0 Ni Ni14 1 0.17011891 0.28392173 0.00000000 1.0 P P15 1 0.58292220 0.71306309 0.50000000 1.0 P P16 1 0.70658654 0.12782484 0.00000000 1.0 P P17 1 0.87217516 0.57876170 0.00000000 1.0 P P18 1 0.42123830 0.29341346 0.00000000 1.0 P P19 1 0.28693691 0.86986011 0.50000000 1.0 P P20 1 0.13013989 0.41707780 0.50000000 1.0