# generated using pymatgen data_Pr6B2(CBr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60964767 _cell_length_b 3.87029102 _cell_length_c 10.26105594 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.37872930 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr6B2(CBr)3 _chemical_formula_sum 'Pr6 B2 C3 Br3' _cell_volume 316.16661960 _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 Pr Pr0 1 0.37490875 0.50000100 0.22639695 1.0 Pr Pr1 1 0.62509025 0.50000100 0.77360205 1.0 Pr Pr2 1 0.94768083 0.50000100 0.16386888 1.0 Pr Pr3 1 0.05231917 0.50000100 0.83613112 1.0 Pr Pr4 1 0.28767764 0.00000000 0.48247550 1.0 Pr Pr5 1 0.71232236 0.00000000 0.51752450 1.0 B B6 1 0.09126977 0.00000000 0.06656609 1.0 B B7 1 0.90873223 0.00000000 0.93343491 1.0 C C8 1 0.16864974 0.00000000 0.22548156 1.0 C C9 1 0.83135026 0.00000000 0.77451744 1.0 C C10 1 0.50000000 0.50000100 0.50000000 1.0 Br Br11 1 0.65113617 0.00000000 0.18728464 1.0 Br Br12 1 0.34886483 0.00000000 0.81271636 1.0 Br Br13 1 0.00000000 0.50000100 0.50000000 1.0