# generated using pymatgen data_Pr2Re2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18488268 _cell_length_b 4.18488221 _cell_length_c 17.81633869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998033 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Re2Br _chemical_formula_sum 'Pr4 Re4 Br2' _cell_volume 270.21888905 _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 0.00000000 0.00000000 0.11991683 1.0 Pr Pr1 1 0.00000000 0.00000000 0.38008317 1.0 Pr Pr2 1 0.00000000 0.00000000 0.61991683 1.0 Pr Pr3 1 0.00000000 0.00000000 0.88008417 1.0 Re Re4 1 0.66666600 0.33333200 0.01391984 1.0 Re Re5 1 0.33333400 0.66666700 0.98608016 1.0 Re Re6 1 0.66666600 0.33333200 0.48608016 1.0 Re Re7 1 0.33333400 0.66666700 0.51391984 1.0 Br Br8 1 0.33333400 0.66666700 0.25000000 1.0 Br Br9 1 0.66666600 0.33333200 0.75000000 1.0