# generated using pymatgen data_ErNbCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38592512 _cell_length_b 8.93370945 _cell_length_c 11.25737085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErNbCrB6 _chemical_formula_sum 'Er4 Nb4 Cr4 B24' _cell_volume 340.52276158 _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 Er Er0 1 0.00000000 0.82257933 0.08556639 1.0 Er Er1 1 0.00000000 0.17742067 0.91443361 1.0 Er Er2 1 0.00000000 0.32257933 0.41443361 1.0 Er Er3 1 0.00000000 0.67742067 0.58556639 1.0 Nb Nb4 1 0.00000000 0.44593848 0.12736361 1.0 Nb Nb5 1 0.00000000 0.55406152 0.87263639 1.0 Nb Nb6 1 0.00000000 0.94593848 0.37263639 1.0 Nb Nb7 1 0.00000000 0.05406152 0.62736361 1.0 Cr Cr8 1 0.00000000 0.14399418 0.18334735 1.0 Cr Cr9 1 0.00000000 0.85600582 0.81665265 1.0 Cr Cr10 1 0.00000000 0.64399418 0.31665265 1.0 Cr Cr11 1 0.00000000 0.35600582 0.68334735 1.0 B B12 1 0.50000000 0.05471158 0.06694989 1.0 B B13 1 0.50000000 0.94528842 0.93305011 1.0 B B14 1 0.50000000 0.55471158 0.43305011 1.0 B B15 1 0.50000000 0.44528842 0.56694989 1.0 B B16 1 0.50000000 0.25312980 0.08171905 1.0 B B17 1 0.50000000 0.74687020 0.91828095 1.0 B B18 1 0.50000000 0.75312980 0.41828095 1.0 B B19 1 0.50000000 0.24687020 0.58171905 1.0 B B20 1 0.50000000 0.29731518 0.23694914 1.0 B B21 1 0.50000000 0.70268482 0.76305086 1.0 B B22 1 0.50000000 0.79731518 0.26305086 1.0 B B23 1 0.50000000 0.20268482 0.73694914 1.0 B B24 1 0.50000000 0.13103142 0.31810858 1.0 B B25 1 0.50000000 0.86896858 0.68189142 1.0 B B26 1 0.50000000 0.63103142 0.18189142 1.0 B B27 1 0.50000000 0.36896858 0.81810858 1.0 B B28 1 0.50000000 0.48209926 0.28704563 1.0 B B29 1 0.50000000 0.51790074 0.71295437 1.0 B B30 1 0.50000000 0.98209926 0.21295437 1.0 B B31 1 0.50000000 0.01790074 0.78704563 1.0 B B32 1 0.50000000 0.10068292 0.47353654 1.0 B B33 1 0.50000000 0.89931708 0.52646346 1.0 B B34 1 0.50000000 0.60068292 0.02646346 1.0 B B35 1 0.50000000 0.39931708 0.97353654 1.0