# generated using pymatgen data_UTaCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43876788 _cell_length_b 8.86427793 _cell_length_c 11.19503896 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UTaCrB6 _chemical_formula_sum 'U4 Ta4 Cr4 B24' _cell_volume 341.24935212 _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 U U0 1 0.00000000 0.82288843 0.08603238 1.0 U U1 1 0.00000000 0.17711157 0.91396762 1.0 U U2 1 0.00000000 0.32288843 0.41396762 1.0 U U3 1 0.00000000 0.67711157 0.58603238 1.0 Ta Ta4 1 0.00000000 0.44468734 0.12800691 1.0 Ta Ta5 1 0.00000000 0.55531266 0.87199309 1.0 Ta Ta6 1 0.00000000 0.94468734 0.37199309 1.0 Ta Ta7 1 0.00000000 0.05531266 0.62800691 1.0 Cr Cr8 1 0.00000000 0.14336917 0.18219521 1.0 Cr Cr9 1 0.00000000 0.85663083 0.81780479 1.0 Cr Cr10 1 0.00000000 0.64336917 0.31780479 1.0 Cr Cr11 1 0.00000000 0.35663083 0.68219521 1.0 B B12 1 0.50000000 0.05377101 0.06706833 1.0 B B13 1 0.50000000 0.94622899 0.93293167 1.0 B B14 1 0.50000000 0.55377101 0.43293167 1.0 B B15 1 0.50000000 0.44622899 0.56706833 1.0 B B16 1 0.50000000 0.25316808 0.08138820 1.0 B B17 1 0.50000000 0.74683192 0.91861180 1.0 B B18 1 0.50000000 0.75316808 0.41861180 1.0 B B19 1 0.50000000 0.24683192 0.58138820 1.0 B B20 1 0.50000000 0.29655831 0.23504299 1.0 B B21 1 0.50000000 0.70344169 0.76495701 1.0 B B22 1 0.50000000 0.79655831 0.26495701 1.0 B B23 1 0.50000000 0.20344169 0.73504299 1.0 B B24 1 0.50000000 0.13080610 0.31738192 1.0 B B25 1 0.50000000 0.86919390 0.68261808 1.0 B B26 1 0.50000000 0.63080610 0.18261808 1.0 B B27 1 0.50000000 0.36919390 0.81738192 1.0 B B28 1 0.50000000 0.48202542 0.28615487 1.0 B B29 1 0.50000000 0.51797458 0.71384513 1.0 B B30 1 0.50000000 0.98202542 0.21384513 1.0 B B31 1 0.50000000 0.01797458 0.78615487 1.0 B B32 1 0.50000000 0.09957789 0.47332001 1.0 B B33 1 0.50000000 0.90042211 0.52667999 1.0 B B34 1 0.50000000 0.59957789 0.02667999 1.0 B B35 1 0.50000000 0.40042211 0.97332001 1.0