# generated using pymatgen data_Yb3PBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.06451587 _cell_length_b 10.06451580 _cell_length_c 10.06451533 _cell_angle_alpha 109.47121968 _cell_angle_beta 109.47121954 _cell_angle_gamma 109.47121915 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb3PBr3 _chemical_formula_sum 'Yb12 P4 Br12' _cell_volume 784.79597857 _cell_formula_units_Z 4 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 Yb Yb0 1 0.48190164 0.49095132 0.24095132 1.0 Yb Yb1 1 0.75000000 0.24095132 0.25904868 1.0 Yb Yb2 1 0.75000000 0.00904868 0.49095132 1.0 Yb Yb3 1 0.24095132 0.48190164 0.49095132 1.0 Yb Yb4 1 0.25904868 0.75000000 0.24095132 1.0 Yb Yb5 1 0.01809836 0.25904868 0.00904868 1.0 Yb Yb6 1 0.00904868 0.01809836 0.25904868 1.0 Yb Yb7 1 0.49095132 0.75000000 0.00904868 1.0 Yb Yb8 1 0.49095132 0.24095132 0.48190164 1.0 Yb Yb9 1 0.00904868 0.49095132 0.75000000 1.0 Yb Yb10 1 0.25904868 0.00904868 0.01809836 1.0 Yb Yb11 1 0.24095132 0.25904868 0.75000000 1.0 P P12 1 0.25000000 0.25000000 0.25000000 1.0 P P13 1 0.50000000 0.00000000 0.25000000 1.0 P P14 1 0.00000000 0.25000000 0.50000000 1.0 P P15 1 0.25000000 0.50000000 0.00000000 1.0 Br Br16 1 0.25000000 0.75012840 0.74987160 1.0 Br Br17 1 0.50025679 0.50012840 0.75012840 1.0 Br Br18 1 0.99974321 0.74987160 0.99987160 1.0 Br Br19 1 0.74987160 0.25000000 0.75012840 1.0 Br Br20 1 0.99987160 0.99974321 0.74987160 1.0 Br Br21 1 0.25000000 0.99987160 0.50012840 1.0 Br Br22 1 0.75012840 0.50025679 0.50012840 1.0 Br Br23 1 0.50012840 0.25000000 0.99987160 1.0 Br Br24 1 0.75012840 0.74987160 0.25000000 1.0 Br Br25 1 0.74987160 0.99987160 0.99974321 1.0 Br Br26 1 0.99987160 0.50012840 0.25000000 1.0 Br Br27 1 0.50012840 0.75012840 0.50025679 1.0