# generated using pymatgen data_ErScVB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45047581 _cell_length_b 9.05811559 _cell_length_c 11.37816166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErScVB6 _chemical_formula_sum 'Er4 Sc4 V4 B24' _cell_volume 355.62226645 _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 0.82302955 0.08513391 1.0 Er Er1 1 0.00000000 0.17697045 0.91486609 1.0 Er Er2 1 0.00000000 0.32302955 0.41486609 1.0 Er Er3 1 0.00000000 0.67697045 0.58513391 1.0 Sc Sc4 1 0.00000000 0.44320129 0.13134273 1.0 Sc Sc5 1 0.00000000 0.55679871 0.86865727 1.0 Sc Sc6 1 0.00000000 0.94320129 0.36865727 1.0 Sc Sc7 1 0.00000000 0.05679871 0.63134273 1.0 V V8 1 0.00000000 0.14255643 0.18193473 1.0 V V9 1 0.00000000 0.85744357 0.81806527 1.0 V V10 1 0.00000000 0.64255643 0.31806527 1.0 V V11 1 0.00000000 0.35744357 0.68193473 1.0 B B12 1 0.50000000 0.05420973 0.06639823 1.0 B B13 1 0.50000000 0.94579027 0.93360177 1.0 B B14 1 0.50000000 0.55420973 0.43360177 1.0 B B15 1 0.50000000 0.44579027 0.56639823 1.0 B B16 1 0.50000000 0.25460875 0.08116998 1.0 B B17 1 0.50000000 0.74539125 0.91883002 1.0 B B18 1 0.50000000 0.75460875 0.41883002 1.0 B B19 1 0.50000000 0.24539125 0.58116998 1.0 B B20 1 0.50000000 0.29615003 0.23720851 1.0 B B21 1 0.50000000 0.70384997 0.76279149 1.0 B B22 1 0.50000000 0.79615003 0.26279149 1.0 B B23 1 0.50000000 0.20384997 0.73720851 1.0 B B24 1 0.50000000 0.13036718 0.31850714 1.0 B B25 1 0.50000000 0.86963282 0.68149286 1.0 B B26 1 0.50000000 0.63036718 0.18149286 1.0 B B27 1 0.50000000 0.36963282 0.81850714 1.0 B B28 1 0.50000000 0.48126902 0.28671858 1.0 B B29 1 0.50000000 0.51873098 0.71328142 1.0 B B30 1 0.50000000 0.98126902 0.21328142 1.0 B B31 1 0.50000000 0.01873098 0.78671858 1.0 B B32 1 0.50000000 0.09548566 0.47415485 1.0 B B33 1 0.50000000 0.90451434 0.52584515 1.0 B B34 1 0.50000000 0.59548566 0.02584515 1.0 B B35 1 0.50000000 0.40451434 0.97415485 1.0