# generated using pymatgen data_Dy3BBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.69011515 _cell_length_b 9.69011394 _cell_length_c 9.69011452 _cell_angle_alpha 109.47121978 _cell_angle_beta 109.47121725 _cell_angle_gamma 109.47122655 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3BBr3 _chemical_formula_sum 'Dy12 B4 Br12' _cell_volume 700.43014968 _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 Dy Dy0 1 0.46011125 0.48005562 0.23005562 1.0 Dy Dy1 1 0.75000000 0.23005562 0.26994438 1.0 Dy Dy2 1 0.75000000 0.01994438 0.48005562 1.0 Dy Dy3 1 0.23005562 0.46011125 0.48005562 1.0 Dy Dy4 1 0.26994438 0.75000000 0.23005562 1.0 Dy Dy5 1 0.03988875 0.26994438 0.01994438 1.0 Dy Dy6 1 0.01994438 0.03988875 0.26994438 1.0 Dy Dy7 1 0.48005562 0.75000000 0.01994438 1.0 Dy Dy8 1 0.48005562 0.23005562 0.46011125 1.0 Dy Dy9 1 0.01994438 0.48005562 0.75000000 1.0 Dy Dy10 1 0.26994438 0.01994438 0.03988875 1.0 Dy Dy11 1 0.23005562 0.26994438 0.75000000 1.0 B B12 1 0.25000000 0.25000000 0.25000000 1.0 B B13 1 0.50000000 0.00000000 0.25000000 1.0 B B14 1 0.00000000 0.25000000 0.50000000 1.0 B B15 1 0.25000000 0.50000000 0.00000000 1.0 Br Br16 1 0.25000000 0.75817232 0.74182768 1.0 Br Br17 1 0.51634564 0.50817232 0.75817232 1.0 Br Br18 1 0.98365436 0.74182768 0.99182768 1.0 Br Br19 1 0.74182768 0.25000000 0.75817232 1.0 Br Br20 1 0.99182768 0.98365436 0.74182768 1.0 Br Br21 1 0.25000000 0.99182768 0.50817232 1.0 Br Br22 1 0.75817232 0.51634564 0.50817232 1.0 Br Br23 1 0.50817232 0.25000000 0.99182768 1.0 Br Br24 1 0.75817232 0.74182768 0.25000000 1.0 Br Br25 1 0.74182768 0.99182768 0.98365436 1.0 Br Br26 1 0.99182768 0.50817232 0.25000000 1.0 Br Br27 1 0.50817232 0.75817232 0.51634564 1.0