# generated using pymatgen data_Ni9BiTeS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31669200 _cell_length_b 7.31669200 _cell_length_c 5.35562900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni9BiTeS8 _chemical_formula_sum 'Ni9 Bi1 Te1 S8' _cell_volume 286.70814554 _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 Ni Ni0 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni1 1 0.18072600 0.50000000 0.75134700 1.0 Ni Ni2 1 0.81927400 0.50000000 0.75134700 1.0 Ni Ni3 1 0.50000000 0.81927400 0.75134700 1.0 Ni Ni4 1 0.50000000 0.18072600 0.75134700 1.0 Ni Ni5 1 0.81927400 0.50000000 0.24865300 1.0 Ni Ni6 1 0.18072600 0.50000000 0.24865300 1.0 Ni Ni7 1 0.50000000 0.18072600 0.24865300 1.0 Ni Ni8 1 0.50000000 0.81927400 0.24865300 1.0 Bi Bi9 1 0.00000000 0.00000000 0.00000000 1.0 Te Te10 1 0.50000000 0.50000000 0.50000000 1.0 S S11 1 0.31510300 0.00000000 0.50000000 1.0 S S12 1 0.68489700 0.00000000 0.50000000 1.0 S S13 1 0.00000000 0.68489700 0.50000000 1.0 S S14 1 0.00000000 0.31510300 0.50000000 1.0 S S15 1 0.27151000 0.27151000 0.00000000 1.0 S S16 1 0.72849000 0.72849000 0.00000000 1.0 S S17 1 0.27151000 0.72849000 0.00000000 1.0 S S18 1 0.72849000 0.27151000 0.00000000 1.0