# generated using pymatgen data_YNbCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40746979 _cell_length_b 8.95722622 _cell_length_c 11.29848129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbCrB6 _chemical_formula_sum 'Y4 Nb4 Cr4 B24' _cell_volume 344.84634559 _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 Y Y0 1 0.00000000 0.82232252 0.08541426 1.0 Y Y1 1 0.00000000 0.17767748 0.91458574 1.0 Y Y2 1 0.00000000 0.32232252 0.41458574 1.0 Y Y3 1 0.00000000 0.67767748 0.58541426 1.0 Nb Nb4 1 0.00000000 0.44595751 0.12728853 1.0 Nb Nb5 1 0.00000000 0.55404249 0.87271147 1.0 Nb Nb6 1 0.00000000 0.94595751 0.37271147 1.0 Nb Nb7 1 0.00000000 0.05404249 0.62728853 1.0 Cr Cr8 1 0.00000000 0.14406718 0.18378016 1.0 Cr Cr9 1 0.00000000 0.85593282 0.81621984 1.0 Cr Cr10 1 0.00000000 0.64406718 0.31621984 1.0 Cr Cr11 1 0.00000000 0.35593282 0.68378016 1.0 B B12 1 0.50000000 0.05507110 0.06766131 1.0 B B13 1 0.50000000 0.94492890 0.93233869 1.0 B B14 1 0.50000000 0.55507110 0.43233869 1.0 B B15 1 0.50000000 0.44492890 0.56766131 1.0 B B16 1 0.50000000 0.25356362 0.08244618 1.0 B B17 1 0.50000000 0.74643638 0.91755382 1.0 B B18 1 0.50000000 0.75356362 0.41755382 1.0 B B19 1 0.50000000 0.24643638 0.58244618 1.0 B B20 1 0.50000000 0.29717591 0.23649614 1.0 B B21 1 0.50000000 0.70282409 0.76350386 1.0 B B22 1 0.50000000 0.79717591 0.26350386 1.0 B B23 1 0.50000000 0.20282409 0.73649614 1.0 B B24 1 0.50000000 0.13030043 0.31789338 1.0 B B25 1 0.50000000 0.86969957 0.68210662 1.0 B B26 1 0.50000000 0.63030043 0.18210662 1.0 B B27 1 0.50000000 0.36969957 0.81789338 1.0 B B28 1 0.50000000 0.48220928 0.28654499 1.0 B B29 1 0.50000000 0.51779072 0.71345501 1.0 B B30 1 0.50000000 0.98220928 0.21345501 1.0 B B31 1 0.50000000 0.01779072 0.78654499 1.0 B B32 1 0.50000000 0.09984125 0.47374720 1.0 B B33 1 0.50000000 0.90015875 0.52625280 1.0 B B34 1 0.50000000 0.59984125 0.02625280 1.0 B B35 1 0.50000000 0.40015875 0.97374720 1.0