# generated using pymatgen data_Yb2BIN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90453782 _cell_length_b 9.73361436 _cell_length_c 12.42601488 _cell_angle_alpha 89.05639553 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2BIN2 _chemical_formula_sum 'Yb8 B4 I4 N8' _cell_volume 472.18995096 _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 0.25000000 0.79946423 0.38899903 1.0 Yb Yb1 1 0.75000000 0.65902477 0.63438793 1.0 Yb Yb2 1 0.75000000 0.59565466 0.18174978 1.0 Yb Yb3 1 0.25000000 0.92701640 0.90691607 1.0 Yb Yb4 1 0.25000000 0.40434534 0.81825022 1.0 Yb Yb5 1 0.75000000 0.20053577 0.61100097 1.0 Yb Yb6 1 0.75000000 0.07298360 0.09308393 1.0 Yb Yb7 1 0.25000000 0.34097523 0.36561207 1.0 B B8 1 0.25000000 0.83347878 0.15111185 1.0 B B9 1 0.75000000 0.57618967 0.40103722 1.0 B B10 1 0.75000000 0.16652122 0.84888815 1.0 B B11 1 0.25000000 0.42381033 0.59896278 1.0 I I12 1 0.25000000 0.34371732 0.09295520 1.0 I I13 1 0.25000000 0.92805461 0.64498164 1.0 I I14 1 0.75000000 0.65628268 0.90704480 1.0 I I15 1 0.75000000 0.07194539 0.35501836 1.0 N N16 1 0.75000000 0.46499483 0.33965475 1.0 N N17 1 0.25000000 0.30377442 0.54828433 1.0 N N18 1 0.25000000 0.53500517 0.66034525 1.0 N N19 1 0.75000000 0.27986709 0.78607217 1.0 N N20 1 0.75000000 0.69622558 0.45171567 1.0 N N21 1 0.25000000 0.72013291 0.21392783 1.0 N N22 1 0.25000000 0.94722724 0.09004356 1.0 N N23 1 0.75000000 0.05277276 0.90995644 1.0