# generated using pymatgen data_Cu14MoWS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43028677 _cell_length_b 7.43028721 _cell_length_c 12.31794561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu14MoWS16 _chemical_formula_sum 'Cu14 Mo1 W1 S16' _cell_volume 588.95231935 _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 Cu Cu0 1 0.84085795 0.68171590 0.10982895 1.0 Cu Cu1 1 0.50584845 0.49415155 0.34892063 1.0 Cu Cu2 1 0.01226926 0.50613413 0.84824165 1.0 Cu Cu3 1 0.84085795 0.15914205 0.10982895 1.0 Cu Cu4 1 0.49386587 0.50613413 0.84824165 1.0 Cu Cu5 1 0.16020094 0.32039987 0.60884076 1.0 Cu Cu6 1 0.50584845 0.01169890 0.34892063 1.0 Cu Cu7 1 0.98830110 0.49415155 0.34892063 1.0 Cu Cu8 1 0.16020094 0.83979906 0.60884076 1.0 Cu Cu9 1 0.49386587 0.98773074 0.84824165 1.0 Cu Cu10 1 0.67960013 0.83979906 0.60884076 1.0 Cu Cu11 1 0.31828410 0.15914205 0.10982895 1.0 Cu Cu12 1 0.00000000 0.00000000 0.85715595 1.0 Cu Cu13 1 0.00000000 0.00000000 0.35764093 1.0 Mo Mo14 1 0.33333300 0.66666700 0.47914650 1.0 W W15 1 0.66666700 0.33333300 0.97931188 1.0 S S16 1 0.00000000 0.00000000 0.03832515 1.0 S S17 1 0.32850615 0.16425308 0.29128924 1.0 S S18 1 0.83574692 0.16425308 0.29128924 1.0 S S19 1 0.00443038 0.50221519 0.53913346 1.0 S S20 1 0.83574692 0.67149385 0.29128924 1.0 S S21 1 0.66666700 0.33333300 0.79647612 1.0 S S22 1 0.16437194 0.32874389 0.79069541 1.0 S S23 1 0.49778481 0.50221519 0.53913346 1.0 S S24 1 0.00000000 0.00000000 0.53853058 1.0 S S25 1 0.33333300 0.66666700 0.29653268 1.0 S S26 1 0.99580429 0.49790164 0.03934664 1.0 S S27 1 0.49778481 0.99556962 0.53913346 1.0 S S28 1 0.16437194 0.83562806 0.79069541 1.0 S S29 1 0.67125611 0.83562806 0.79069541 1.0 S S30 1 0.50209836 0.00419571 0.03934664 1.0 S S31 1 0.50209836 0.49790164 0.03934664 1.0