# generated using pymatgen data_Zr9Mo4S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76323154 _cell_length_b 8.76323154 _cell_length_c 8.65443900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999653 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Mo4S _chemical_formula_sum 'Zr18 Mo8 S2' _cell_volume 575.56998935 _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 Zr Zr0 1 0.53830800 0.07661700 0.25000000 1.0 Zr Zr1 1 0.46169200 0.92338300 0.75000000 1.0 Zr Zr2 1 0.92338300 0.46169200 0.25000000 1.0 Zr Zr3 1 0.07661700 0.53830800 0.75000000 1.0 Zr Zr4 1 0.53830800 0.46169200 0.25000000 1.0 Zr Zr5 1 0.46169200 0.53830800 0.75000000 1.0 Zr Zr6 1 0.19829800 0.39659500 0.04798600 1.0 Zr Zr7 1 0.80170200 0.60340500 0.95201400 1.0 Zr Zr8 1 0.60340500 0.80170200 0.04798600 1.0 Zr Zr9 1 0.80170200 0.60340500 0.54798600 1.0 Zr Zr10 1 0.39659500 0.19829800 0.95201400 1.0 Zr Zr11 1 0.19829800 0.39659500 0.45201400 1.0 Zr Zr12 1 0.19829800 0.80170200 0.04798600 1.0 Zr Zr13 1 0.39659500 0.19829800 0.54798600 1.0 Zr Zr14 1 0.80170200 0.19829800 0.95201400 1.0 Zr Zr15 1 0.60340500 0.80170200 0.45201400 1.0 Zr Zr16 1 0.80170200 0.19829800 0.54798600 1.0 Zr Zr17 1 0.19829800 0.80170200 0.45201400 1.0 Mo Mo18 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo19 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo20 1 0.89138100 0.78276300 0.25000000 1.0 Mo Mo21 1 0.10861900 0.21723700 0.75000000 1.0 Mo Mo22 1 0.21723700 0.10861900 0.25000000 1.0 Mo Mo23 1 0.78276300 0.89138100 0.75000000 1.0 Mo Mo24 1 0.89138100 0.10861900 0.25000000 1.0 Mo Mo25 1 0.10861900 0.89138100 0.75000000 1.0 S S26 1 0.33333300 0.66666700 0.25000000 1.0 S S27 1 0.66666700 0.33333300 0.75000000 1.0