# generated using pymatgen data_Mo7S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44260800 _cell_length_b 6.51404450 _cell_length_c 13.08147678 _cell_angle_alpha 94.32563522 _cell_angle_beta 94.49731631 _cell_angle_gamma 96.56342632 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo7S8 _chemical_formula_sum 'Mo14 S16' _cell_volume 541.74125028 _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 Mo Mo0 1 0.17704700 0.89510100 0.01016500 1.0 Mo Mo1 1 0.20903600 0.41861000 0.27247800 1.0 Mo Mo2 1 0.21798500 0.38191800 0.77141100 1.0 Mo Mo3 1 0.40398400 0.56382000 0.10594400 1.0 Mo Mo4 1 0.40300300 0.54235900 0.60700700 1.0 Mo Mo5 1 0.44753000 0.79831700 0.29305200 1.0 Mo Mo6 1 0.47681800 0.77392100 0.80074100 1.0 Mo Mo7 1 0.53271200 0.23494100 0.20319300 1.0 Mo Mo8 1 0.54001000 0.20953600 0.70159200 1.0 Mo Mo9 1 0.58799400 0.46993200 0.38982900 1.0 Mo Mo10 1 0.60207200 0.44395600 0.89085200 1.0 Mo Mo11 1 0.77521600 0.61077000 0.22472800 1.0 Mo Mo12 1 0.78657800 0.58148200 0.72693900 1.0 Mo Mo13 1 0.01923600 0.81493400 0.54574800 1.0 S S14 1 0.12881600 0.74967800 0.17635400 1.0 S S15 1 0.15079100 0.71660500 0.70258300 1.0 S S16 1 0.18851600 0.23182800 0.10275500 1.0 S S17 1 0.19348800 0.17197000 0.60257800 1.0 S S18 1 0.25746700 0.64875000 0.43335000 1.0 S S19 1 0.27623000 0.59562900 0.92646900 1.0 S S20 1 0.35667100 0.14767700 0.36051600 1.0 S S21 1 0.36758100 0.11719400 0.87125200 1.0 S S22 1 0.63318700 0.88912600 0.13766000 1.0 S S23 1 0.63986200 0.86193800 0.63448600 1.0 S S24 1 0.71626000 0.38458300 0.06764100 1.0 S S25 1 0.70871400 0.37304500 0.56491100 1.0 S S26 1 0.79331700 0.81795300 0.38869200 1.0 S S27 1 0.83156300 0.77885800 0.90104500 1.0 S S28 1 0.85251200 0.29962300 0.31335400 1.0 S S29 1 0.86120400 0.26424400 0.81082300 1.0