# generated using pymatgen data_Er2Lu2BBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86127625 _cell_length_b 12.85545433 _cell_length_c 13.27950296 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Lu2BBr6 _chemical_formula_sum 'Er4 Lu4 B2 Br12' _cell_volume 659.17408304 _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 Er Er0 1 0.50000000 0.12314341 0.85532246 1.0 Er Er1 1 0.50000000 0.87685659 0.14467754 1.0 Er Er2 1 0.50000000 0.62314341 0.64467754 1.0 Er Er3 1 0.50000000 0.37685659 0.35532246 1.0 Lu Lu4 1 0.00000000 0.09972244 0.07968206 1.0 Lu Lu5 1 0.00000000 0.90027756 0.92031794 1.0 Lu Lu6 1 0.00000000 0.59972244 0.42031794 1.0 Lu Lu7 1 0.00000000 0.40027756 0.57968206 1.0 B B8 1 0.50000000 0.00000000 0.00000000 1.0 B B9 1 0.50000000 0.50000000 0.50000000 1.0 Br Br10 1 0.50000000 0.26973293 0.68169042 1.0 Br Br11 1 0.50000000 0.73026707 0.31830958 1.0 Br Br12 1 0.50000000 0.76973293 0.81830958 1.0 Br Br13 1 0.50000000 0.23026707 0.18169042 1.0 Br Br14 1 0.00000000 0.26326065 0.93385298 1.0 Br Br15 1 0.00000000 0.73673935 0.06614702 1.0 Br Br16 1 0.00000000 0.48313298 0.23695691 1.0 Br Br17 1 0.00000000 0.51686702 0.76304309 1.0 Br Br18 1 0.00000000 0.98313298 0.26304309 1.0 Br Br19 1 0.00000000 0.01686702 0.73695691 1.0 Br Br20 1 0.00000000 0.23673935 0.43385298 1.0 Br Br21 1 0.00000000 0.76326065 0.56614702 1.0