# generated using pymatgen data_YEr3BBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91373735 _cell_length_b 12.97168052 _cell_length_c 13.40729751 _cell_angle_alpha 90.27687683 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YEr3BBr6 _chemical_formula_sum 'Y2 Er6 B2 Br12' _cell_volume 680.65038715 _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 Y Y0 1 0.50000000 0.12423427 0.85458492 1.0 Y Y1 1 0.50000000 0.87576573 0.14541508 1.0 Er Er2 1 0.00000000 0.10130634 0.08116088 1.0 Er Er3 1 0.00000000 0.89869366 0.91883912 1.0 Er Er4 1 0.00000000 0.60056654 0.41970688 1.0 Er Er5 1 0.00000000 0.39943346 0.58029312 1.0 Er Er6 1 0.50000000 0.62294579 0.64412023 1.0 Er Er7 1 0.50000000 0.37705421 0.35587977 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 0.26919520 0.68181813 1.0 Br Br11 1 0.50000000 0.73080480 0.31818187 1.0 Br Br12 1 0.50000000 0.76798354 0.81628469 1.0 Br Br13 1 0.50000000 0.23201646 0.18371531 1.0 Br Br14 1 0.00000000 0.26445500 0.93474164 1.0 Br Br15 1 0.00000000 0.73554500 0.06525836 1.0 Br Br16 1 0.00000000 0.48001736 0.23848373 1.0 Br Br17 1 0.00000000 0.51998264 0.76151627 1.0 Br Br18 1 0.00000000 0.98353198 0.26347572 1.0 Br Br19 1 0.00000000 0.01646802 0.73652428 1.0 Br Br20 1 0.00000000 0.23851699 0.43131568 1.0 Br Br21 1 0.00000000 0.76148301 0.56868432 1.0