# generated using pymatgen data_Pr4AsBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23598017 _cell_length_b 13.73927018 _cell_length_c 14.52515490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4AsBr6 _chemical_formula_sum 'Pr8 As2 Br12' _cell_volume 845.35349970 _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 Pr Pr0 1 0.50000000 0.11966114 0.33896666 1.0 Pr Pr1 1 0.50000000 0.88033886 0.66103334 1.0 Pr Pr2 1 0.50000000 0.61966114 0.16103334 1.0 Pr Pr3 1 0.50000000 0.38033886 0.83896666 1.0 Pr Pr4 1 0.00000000 0.11903772 0.57886638 1.0 Pr Pr5 1 0.00000000 0.88096228 0.42113362 1.0 Pr Pr6 1 0.00000000 0.61903772 0.92113362 1.0 Pr Pr7 1 0.00000000 0.38096228 0.07886638 1.0 As As8 1 0.50000000 0.00000000 0.50000000 1.0 As As9 1 0.50000000 0.50000000 0.00000000 1.0 Br Br10 1 0.50000000 0.24350410 0.16380970 1.0 Br Br11 1 0.50000000 0.75649590 0.83619030 1.0 Br Br12 1 0.50000000 0.74350410 0.33619030 1.0 Br Br13 1 0.50000000 0.25649590 0.66380970 1.0 Br Br14 1 0.00000000 0.25517465 0.41112515 1.0 Br Br15 1 0.00000000 0.74482535 0.58887485 1.0 Br Br16 1 0.00000000 0.75517465 0.08887485 1.0 Br Br17 1 0.00000000 0.24482535 0.91112515 1.0 Br Br18 1 0.00000000 0.00080229 0.24340827 1.0 Br Br19 1 0.00000000 0.99919771 0.75659173 1.0 Br Br20 1 0.00000000 0.50080229 0.25659173 1.0 Br Br21 1 0.00000000 0.49919771 0.74340827 1.0