# generated using pymatgen data_BaNi9Sb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07475168 _cell_length_b 7.07475138 _cell_length_c 11.89399577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000599 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNi9Sb5 _chemical_formula_sum 'Ba2 Ni18 Sb10' _cell_volume 515.56184426 _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 0.00000000 0.00000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.53615056 0.46384944 0.10487559 1.0 Ni Ni3 1 0.07230112 0.53615056 0.60487559 1.0 Ni Ni4 1 0.46384944 0.92769888 0.60487559 1.0 Ni Ni5 1 0.53615056 0.07230112 0.10487559 1.0 Ni Ni6 1 0.92769888 0.46384944 0.10487559 1.0 Ni Ni7 1 0.07230112 0.53615056 0.89512441 1.0 Ni Ni8 1 0.46384944 0.92769888 0.89512441 1.0 Ni Ni9 1 0.46384944 0.53615056 0.60487559 1.0 Ni Ni10 1 0.46384944 0.53615056 0.89512441 1.0 Ni Ni11 1 0.53615056 0.46384944 0.39512441 1.0 Ni Ni12 1 0.92769888 0.46384944 0.39512441 1.0 Ni Ni13 1 0.53615056 0.07230112 0.39512441 1.0 Ni Ni14 1 0.21644490 0.78355510 0.25000000 1.0 Ni Ni15 1 0.43288981 0.21644490 0.75000000 1.0 Ni Ni16 1 0.78355510 0.56711019 0.75000000 1.0 Ni Ni17 1 0.21644490 0.43288981 0.25000000 1.0 Ni Ni18 1 0.56711019 0.78355510 0.25000000 1.0 Ni Ni19 1 0.78355510 0.21644490 0.75000000 1.0 Sb Sb20 1 0.82893401 0.17106599 0.25000000 1.0 Sb Sb21 1 0.65786703 0.82893401 0.75000000 1.0 Sb Sb22 1 0.17106599 0.34213297 0.75000000 1.0 Sb Sb23 1 0.82893401 0.65786703 0.25000000 1.0 Sb Sb24 1 0.34213297 0.17106599 0.25000000 1.0 Sb Sb25 1 0.17106599 0.82893401 0.75000000 1.0 Sb Sb26 1 0.33333300 0.66666700 0.06120995 1.0 Sb Sb27 1 0.66666700 0.33333300 0.56120995 1.0 Sb Sb28 1 0.66666700 0.33333300 0.93879005 1.0 Sb Sb29 1 0.33333300 0.66666700 0.43879005 1.0