# generated using pymatgen data_ErScCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45497973 _cell_length_b 8.97918159 _cell_length_c 11.32272818 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErScCrB6 _chemical_formula_sum 'Er4 Sc4 Cr4 B24' _cell_volume 351.26375482 _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 0.82238349 0.08510995 1.0 Er Er1 1 0.00000000 0.17761651 0.91489005 1.0 Er Er2 1 0.00000000 0.32238349 0.41489005 1.0 Er Er3 1 0.00000000 0.67761651 0.58510995 1.0 Sc Sc4 1 0.00000000 0.44337980 0.13013161 1.0 Sc Sc5 1 0.00000000 0.55662020 0.86986839 1.0 Sc Sc6 1 0.00000000 0.94337980 0.36986839 1.0 Sc Sc7 1 0.00000000 0.05662020 0.63013161 1.0 Cr Cr8 1 0.00000000 0.14161599 0.18156505 1.0 Cr Cr9 1 0.00000000 0.85838401 0.81843495 1.0 Cr Cr10 1 0.00000000 0.64161599 0.31843495 1.0 Cr Cr11 1 0.00000000 0.35838401 0.68156505 1.0 B B12 1 0.50000000 0.05474777 0.06748330 1.0 B B13 1 0.50000000 0.94525223 0.93251670 1.0 B B14 1 0.50000000 0.55474777 0.43251670 1.0 B B15 1 0.50000000 0.44525223 0.56748330 1.0 B B16 1 0.50000000 0.25273110 0.08216431 1.0 B B17 1 0.50000000 0.74726890 0.91783569 1.0 B B18 1 0.50000000 0.75273110 0.41783569 1.0 B B19 1 0.50000000 0.24726890 0.58216431 1.0 B B20 1 0.50000000 0.29428632 0.23597852 1.0 B B21 1 0.50000000 0.70571368 0.76402148 1.0 B B22 1 0.50000000 0.79428632 0.26402148 1.0 B B23 1 0.50000000 0.20571368 0.73597852 1.0 B B24 1 0.50000000 0.12993608 0.31687666 1.0 B B25 1 0.50000000 0.87006392 0.68312334 1.0 B B26 1 0.50000000 0.62993608 0.18312334 1.0 B B27 1 0.50000000 0.37006392 0.81687666 1.0 B B28 1 0.50000000 0.48256031 0.28670855 1.0 B B29 1 0.50000000 0.51743969 0.71329145 1.0 B B30 1 0.50000000 0.98256031 0.21329145 1.0 B B31 1 0.50000000 0.01743969 0.78670855 1.0 B B32 1 0.50000000 0.09732592 0.47360805 1.0 B B33 1 0.50000000 0.90267408 0.52639195 1.0 B B34 1 0.50000000 0.59732592 0.02639195 1.0 B B35 1 0.50000000 0.40267408 0.97360805 1.0