# generated using pymatgen data_Rb4NbMoBr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50928475 _cell_length_b 7.50928475 _cell_length_c 10.65712879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb4NbMoBr12 _chemical_formula_sum 'Rb4 Nb1 Mo1 Br12' _cell_volume 600.94864527 _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 Rb Rb0 1 0.50000000 0.00000000 0.72660072 1.0 Rb Rb1 1 0.00000000 0.50000000 0.27339928 1.0 Rb Rb2 1 0.50000000 0.00000000 0.27339928 1.0 Rb Rb3 1 0.00000000 0.50000000 0.72660072 1.0 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo5 1 0.50000000 0.50000000 0.50000000 1.0 Br Br6 1 0.00000000 0.00000000 0.76009719 1.0 Br Br7 1 0.50000000 0.50000000 0.25671689 1.0 Br Br8 1 0.74388158 0.74388158 0.50000000 1.0 Br Br9 1 0.24017009 0.24017009 0.00000000 1.0 Br Br10 1 0.74388158 0.25611842 0.50000000 1.0 Br Br11 1 0.24017009 0.75982991 0.00000000 1.0 Br Br12 1 0.00000000 0.00000000 0.23990281 1.0 Br Br13 1 0.50000000 0.50000000 0.74328311 1.0 Br Br14 1 0.25611842 0.25611842 0.50000000 1.0 Br Br15 1 0.75982991 0.75982991 0.00000000 1.0 Br Br16 1 0.25611842 0.74388158 0.50000000 1.0 Br Br17 1 0.75982991 0.24017009 0.00000000 1.0