# generated using pymatgen data_HoHfCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44186456 _cell_length_b 8.96923703 _cell_length_c 11.33386535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoHfCrB6 _chemical_formula_sum 'Ho4 Hf4 Cr4 B24' _cell_volume 349.88661303 _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 Ho Ho0 1 0.00000000 0.82230853 0.08519483 1.0 Ho Ho1 1 0.00000000 0.17769147 0.91480517 1.0 Ho Ho2 1 0.00000000 0.32230853 0.41480517 1.0 Ho Ho3 1 0.00000000 0.67769147 0.58519483 1.0 Hf Hf4 1 0.00000000 0.44424500 0.12906007 1.0 Hf Hf5 1 0.00000000 0.55575500 0.87093993 1.0 Hf Hf6 1 0.00000000 0.94424500 0.37093993 1.0 Hf Hf7 1 0.00000000 0.05575500 0.62906007 1.0 Cr Cr8 1 0.00000000 0.14212840 0.18264402 1.0 Cr Cr9 1 0.00000000 0.85787160 0.81735598 1.0 Cr Cr10 1 0.00000000 0.64212840 0.31735598 1.0 Cr Cr11 1 0.00000000 0.35787160 0.68264402 1.0 B B12 1 0.50000000 0.05450092 0.06765917 1.0 B B13 1 0.50000000 0.94549908 0.93234083 1.0 B B14 1 0.50000000 0.55450092 0.43234083 1.0 B B15 1 0.50000000 0.44549908 0.56765917 1.0 B B16 1 0.50000000 0.25197549 0.08235612 1.0 B B17 1 0.50000000 0.74802451 0.91764388 1.0 B B18 1 0.50000000 0.75197549 0.41764388 1.0 B B19 1 0.50000000 0.24802451 0.58235612 1.0 B B20 1 0.50000000 0.29500976 0.23595179 1.0 B B21 1 0.50000000 0.70499024 0.76404821 1.0 B B22 1 0.50000000 0.79500976 0.26404821 1.0 B B23 1 0.50000000 0.20499024 0.73595179 1.0 B B24 1 0.50000000 0.13044540 0.31655324 1.0 B B25 1 0.50000000 0.86955460 0.68344676 1.0 B B26 1 0.50000000 0.63044540 0.18344676 1.0 B B27 1 0.50000000 0.36955460 0.81655324 1.0 B B28 1 0.50000000 0.48243042 0.28697390 1.0 B B29 1 0.50000000 0.51756958 0.71302610 1.0 B B30 1 0.50000000 0.98243042 0.21302610 1.0 B B31 1 0.50000000 0.01756958 0.78697390 1.0 B B32 1 0.50000000 0.09950563 0.47339334 1.0 B B33 1 0.50000000 0.90049437 0.52660666 1.0 B B34 1 0.50000000 0.59950563 0.02660666 1.0 B B35 1 0.50000000 0.40049437 0.97339334 1.0