# generated using pymatgen data_Zr10Bi6S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69507254 _cell_length_b 8.69507326 _cell_length_c 5.89561833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000483 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr10Bi6S _chemical_formula_sum 'Zr10 Bi6 S1' _cell_volume 386.01699526 _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 Zr Zr0 1 1.00000000 0.75370512 0.24162746 1.0 Zr Zr1 1 0.24629488 0.24629488 0.24162746 1.0 Zr Zr2 1 0.75370512 1.00000000 0.24162746 1.0 Zr Zr3 1 0.00000000 0.24629488 0.75837254 1.0 Zr Zr4 1 0.75370512 0.75370512 0.75837254 1.0 Zr Zr5 1 0.24629488 0.00000000 0.75837254 1.0 Zr Zr6 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr7 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr8 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr9 1 0.33333300 0.66666700 0.00000000 1.0 Bi Bi10 1 1.00000000 0.39321429 0.24871110 1.0 Bi Bi11 1 0.60678571 0.60678571 0.24871110 1.0 Bi Bi12 1 0.39321429 1.00000000 0.24871110 1.0 Bi Bi13 1 0.00000000 0.60678571 0.75128890 1.0 Bi Bi14 1 0.39321429 0.39321429 0.75128890 1.0 Bi Bi15 1 0.60678571 0.00000000 0.75128890 1.0 S S16 1 0.00000000 0.00000000 0.50000000 1.0