# generated using pymatgen data_ErNbFeB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34050143 _cell_length_b 8.87783271 _cell_length_c 11.18633916 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErNbFeB6 _chemical_formula_sum 'Er4 Nb4 Fe4 B24' _cell_volume 331.74669243 _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 0.82334899 0.08638530 1.0 Er Er1 1 0.00000000 0.17665101 0.91361470 1.0 Er Er2 1 0.00000000 0.32334899 0.41361470 1.0 Er Er3 1 0.00000000 0.67665101 0.58638530 1.0 Nb Nb4 1 0.00000000 0.44503873 0.12789884 1.0 Nb Nb5 1 0.00000000 0.55496127 0.87210116 1.0 Nb Nb6 1 0.00000000 0.94503873 0.37210116 1.0 Nb Nb7 1 0.00000000 0.05496127 0.62789884 1.0 Fe Fe8 1 0.00000000 0.14376813 0.18265681 1.0 Fe Fe9 1 0.00000000 0.85623187 0.81734319 1.0 Fe Fe10 1 0.00000000 0.64376813 0.31734319 1.0 Fe Fe11 1 0.00000000 0.35623187 0.68265681 1.0 B B12 1 0.50000000 0.05491066 0.06732640 1.0 B B13 1 0.50000000 0.94508934 0.93267360 1.0 B B14 1 0.50000000 0.55491066 0.43267360 1.0 B B15 1 0.50000000 0.44508934 0.56732640 1.0 B B16 1 0.50000000 0.25126384 0.08295428 1.0 B B17 1 0.50000000 0.74873616 0.91704572 1.0 B B18 1 0.50000000 0.75126384 0.41704572 1.0 B B19 1 0.50000000 0.24873616 0.58295428 1.0 B B20 1 0.50000000 0.29677704 0.23685190 1.0 B B21 1 0.50000000 0.70322296 0.76314810 1.0 B B22 1 0.50000000 0.79677704 0.26314810 1.0 B B23 1 0.50000000 0.20322296 0.73685190 1.0 B B24 1 0.50000000 0.13087402 0.31663727 1.0 B B25 1 0.50000000 0.86912598 0.68336273 1.0 B B26 1 0.50000000 0.63087402 0.18336273 1.0 B B27 1 0.50000000 0.36912598 0.81663727 1.0 B B28 1 0.50000000 0.48310878 0.28758722 1.0 B B29 1 0.50000000 0.51689122 0.71241278 1.0 B B30 1 0.50000000 0.98310878 0.21241278 1.0 B B31 1 0.50000000 0.01689122 0.78758722 1.0 B B32 1 0.50000000 0.10134412 0.47334160 1.0 B B33 1 0.50000000 0.89865588 0.52665840 1.0 B B34 1 0.50000000 0.60134412 0.02665840 1.0 B B35 1 0.50000000 0.39865588 0.97334160 1.0