# generated using pymatgen data_Dy3BCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.39120539 _cell_length_b 9.39120559 _cell_length_c 9.39120529 _cell_angle_alpha 109.47122424 _cell_angle_beta 109.47122466 _cell_angle_gamma 109.47121619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3BCl3 _chemical_formula_sum 'Dy12 B4 Cl12' _cell_volume 637.59090497 _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 0.46993799 0.48496899 0.23496899 1.0 Dy Dy1 1 0.75000000 0.23496899 0.26503101 1.0 Dy Dy2 1 0.75000000 0.01503101 0.48496899 1.0 Dy Dy3 1 0.23496899 0.46993799 0.48496899 1.0 Dy Dy4 1 0.26503101 0.75000000 0.23496899 1.0 Dy Dy5 1 0.03006201 0.26503101 0.01503101 1.0 Dy Dy6 1 0.01503101 0.03006201 0.26503101 1.0 Dy Dy7 1 0.48496899 0.75000000 0.01503101 1.0 Dy Dy8 1 0.48496899 0.23496899 0.46993799 1.0 Dy Dy9 1 0.01503101 0.48496899 0.75000000 1.0 Dy Dy10 1 0.26503101 0.01503101 0.03006201 1.0 Dy Dy11 1 0.23496899 0.26503101 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 Cl Cl16 1 0.25000000 0.75591388 0.74408612 1.0 Cl Cl17 1 0.51182776 0.50591388 0.75591388 1.0 Cl Cl18 1 0.98817224 0.74408612 0.99408612 1.0 Cl Cl19 1 0.74408612 0.25000000 0.75591388 1.0 Cl Cl20 1 0.99408612 0.98817224 0.74408612 1.0 Cl Cl21 1 0.25000000 0.99408612 0.50591388 1.0 Cl Cl22 1 0.75591388 0.51182776 0.50591388 1.0 Cl Cl23 1 0.50591388 0.25000000 0.99408612 1.0 Cl Cl24 1 0.75591388 0.74408612 0.25000000 1.0 Cl Cl25 1 0.74408612 0.99408612 0.98817224 1.0 Cl Cl26 1 0.99408612 0.50591388 0.25000000 1.0 Cl Cl27 1 0.50591388 0.75591388 0.51182776 1.0