# generated using pymatgen data_Cs4MoWBr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58353573 _cell_length_b 7.58353573 _cell_length_c 11.10213047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs4MoWBr12 _chemical_formula_sum 'Cs4 Mo1 W1 Br12' _cell_volume 638.48368076 _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 Cs Cs0 1 0.50000000 0.00000000 0.74188976 1.0 Cs Cs1 1 0.00000000 0.50000000 0.25811024 1.0 Cs Cs2 1 0.50000000 0.00000000 0.25811024 1.0 Cs Cs3 1 0.00000000 0.50000000 0.74188976 1.0 Mo Mo4 1 0.50000000 0.50000000 0.50000000 1.0 W W5 1 0.00000000 0.00000000 0.00000000 1.0 Br Br6 1 0.00000000 0.00000000 0.76933170 1.0 Br Br7 1 0.50000000 0.50000000 0.26615790 1.0 Br Br8 1 0.73884053 0.73884053 0.50000000 1.0 Br Br9 1 0.23526584 0.23526584 0.00000000 1.0 Br Br10 1 0.73884053 0.26115947 0.50000000 1.0 Br Br11 1 0.23526584 0.76473416 0.00000000 1.0 Br Br12 1 0.00000000 0.00000000 0.23066830 1.0 Br Br13 1 0.50000000 0.50000000 0.73384210 1.0 Br Br14 1 0.26115947 0.26115947 0.50000000 1.0 Br Br15 1 0.76473416 0.76473416 0.00000000 1.0 Br Br16 1 0.26115947 0.73884053 0.50000000 1.0 Br Br17 1 0.76473416 0.23526584 0.00000000 1.0