# generated using pymatgen data_BaNi9Sb2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84957924 _cell_length_b 6.84959574 _cell_length_c 10.97243539 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99688201 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNi9Sb2P3 _chemical_formula_sum 'Ba2 Ni18 Sb4 P6' _cell_volume 445.83703588 _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 0.50000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.45939305 0.91877891 0.87275855 1.0 Ni Ni3 1 0.91878732 0.45939267 0.12724417 1.0 Ni Ni4 1 0.54060695 0.08122109 0.12724145 1.0 Ni Ni5 1 0.08121268 0.54060733 0.62724417 1.0 Ni Ni6 1 0.19239992 0.38487515 0.25000000 1.0 Ni Ni7 1 0.80757335 0.19243998 0.75000000 1.0 Ni Ni8 1 0.38487884 0.19240772 0.75000000 1.0 Ni Ni9 1 0.61512116 0.80759228 0.25000000 1.0 Ni Ni10 1 0.19242665 0.80756002 0.25000000 1.0 Ni Ni11 1 0.80760008 0.61512485 0.75000000 1.0 Ni Ni12 1 0.45939305 0.91877891 0.62724145 1.0 Ni Ni13 1 0.54062798 0.45936319 0.37275996 1.0 Ni Ni14 1 0.91878732 0.45939267 0.37275583 1.0 Ni Ni15 1 0.08121268 0.54060733 0.87275583 1.0 Ni Ni16 1 0.45937202 0.54063681 0.87275996 1.0 Ni Ni17 1 0.54060695 0.08122109 0.37275855 1.0 Ni Ni18 1 0.54062798 0.45936319 0.12724004 1.0 Ni Ni19 1 0.45937202 0.54063681 0.62724004 1.0 Sb Sb20 1 0.33333699 0.66666704 0.43940165 1.0 Sb Sb21 1 0.66666301 0.33333296 0.93940165 1.0 Sb Sb22 1 0.66666301 0.33333296 0.56059835 1.0 Sb Sb23 1 0.33333699 0.66666704 0.06059835 1.0 P P24 1 0.16867554 0.33735452 0.75000000 1.0 P P25 1 0.83131979 0.16868060 0.25000000 1.0 P P26 1 0.16868021 0.83131940 0.75000000 1.0 P P27 1 0.83132446 0.66264548 0.25000000 1.0 P P28 1 0.33735283 0.16867515 0.25000000 1.0 P P29 1 0.66264717 0.83132485 0.75000000 1.0