# generated using pymatgen data_TbZrCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48749937 _cell_length_b 9.03190989 _cell_length_c 11.41702852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbZrCrB6 _chemical_formula_sum 'Tb4 Zr4 Cr4 B24' _cell_volume 359.62247018 _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 Tb Tb0 1 0.00000000 0.82238752 0.08514384 1.0 Tb Tb1 1 0.00000000 0.17761248 0.91485616 1.0 Tb Tb2 1 0.00000000 0.32238752 0.41485616 1.0 Tb Tb3 1 0.00000000 0.67761248 0.58514384 1.0 Zr Zr4 1 0.00000000 0.44405907 0.12932490 1.0 Zr Zr5 1 0.00000000 0.55594093 0.87067510 1.0 Zr Zr6 1 0.00000000 0.94405907 0.37067510 1.0 Zr Zr7 1 0.00000000 0.05594093 0.62932490 1.0 Cr Cr8 1 0.00000000 0.14195574 0.18256661 1.0 Cr Cr9 1 0.00000000 0.85804426 0.81743339 1.0 Cr Cr10 1 0.00000000 0.64195574 0.31743339 1.0 Cr Cr11 1 0.00000000 0.35804426 0.68256661 1.0 B B12 1 0.50000000 0.05466578 0.06810297 1.0 B B13 1 0.50000000 0.94533422 0.93189703 1.0 B B14 1 0.50000000 0.55466578 0.43189703 1.0 B B15 1 0.50000000 0.44533422 0.56810297 1.0 B B16 1 0.50000000 0.25116967 0.08286273 1.0 B B17 1 0.50000000 0.74883033 0.91713727 1.0 B B18 1 0.50000000 0.75116967 0.41713727 1.0 B B19 1 0.50000000 0.24883033 0.58286273 1.0 B B20 1 0.50000000 0.29427679 0.23578177 1.0 B B21 1 0.50000000 0.70572321 0.76421823 1.0 B B22 1 0.50000000 0.79427679 0.26421823 1.0 B B23 1 0.50000000 0.20572321 0.73578177 1.0 B B24 1 0.50000000 0.13059014 0.31590391 1.0 B B25 1 0.50000000 0.86940986 0.68409609 1.0 B B26 1 0.50000000 0.63059014 0.18409609 1.0 B B27 1 0.50000000 0.36940986 0.81590391 1.0 B B28 1 0.50000000 0.48297513 0.28721783 1.0 B B29 1 0.50000000 0.51702487 0.71278217 1.0 B B30 1 0.50000000 0.98297513 0.21278217 1.0 B B31 1 0.50000000 0.01702487 0.78721783 1.0 B B32 1 0.50000000 0.09988404 0.47322039 1.0 B B33 1 0.50000000 0.90011596 0.52677961 1.0 B B34 1 0.50000000 0.59988404 0.02677961 1.0 B B35 1 0.50000000 0.40011596 0.97322039 1.0