# generated using pymatgen data_CeLuCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59604525 _cell_length_b 9.12838219 _cell_length_c 11.52651403 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeLuCrB6 _chemical_formula_sum 'Ce4 Lu4 Cr4 B24' _cell_volume 378.37021906 _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 Ce Ce0 1 0.00000000 0.32228456 0.41477970 1.0 Ce Ce1 1 0.00000000 0.67771544 0.58522030 1.0 Ce Ce2 1 0.00000000 0.82228456 0.08522030 1.0 Ce Ce3 1 0.00000000 0.17771544 0.91477970 1.0 Lu Lu4 1 0.00000000 0.94380528 0.37098202 1.0 Lu Lu5 1 0.00000000 0.05619472 0.62901798 1.0 Lu Lu6 1 0.00000000 0.44380528 0.12901798 1.0 Lu Lu7 1 0.00000000 0.55619472 0.87098202 1.0 Cr Cr8 1 0.00000000 0.64037137 0.31928227 1.0 Cr Cr9 1 0.00000000 0.35962863 0.68071773 1.0 Cr Cr10 1 0.00000000 0.14037137 0.18071773 1.0 Cr Cr11 1 0.00000000 0.85962863 0.81928227 1.0 B B12 1 0.50000000 0.55523551 0.43068799 1.0 B B13 1 0.50000000 0.44476449 0.56931201 1.0 B B14 1 0.50000000 0.05523551 0.06931201 1.0 B B15 1 0.50000000 0.94476449 0.93068799 1.0 B B16 1 0.50000000 0.75015912 0.41674234 1.0 B B17 1 0.50000000 0.24984088 0.58325766 1.0 B B18 1 0.50000000 0.25015912 0.08325766 1.0 B B19 1 0.50000000 0.74984088 0.91674234 1.0 B B20 1 0.50000000 0.79204268 0.26533431 1.0 B B21 1 0.50000000 0.20795732 0.73466569 1.0 B B22 1 0.50000000 0.29204268 0.23466569 1.0 B B23 1 0.50000000 0.70795732 0.76533431 1.0 B B24 1 0.50000000 0.63058928 0.18521468 1.0 B B25 1 0.50000000 0.36941072 0.81478532 1.0 B B26 1 0.50000000 0.13058928 0.31478532 1.0 B B27 1 0.50000000 0.86941072 0.68521468 1.0 B B28 1 0.50000000 0.98405727 0.21333181 1.0 B B29 1 0.50000000 0.01594273 0.78666819 1.0 B B30 1 0.50000000 0.48405727 0.28666819 1.0 B B31 1 0.50000000 0.51594273 0.71333181 1.0 B B32 1 0.50000000 0.60133540 0.02770177 1.0 B B33 1 0.50000000 0.39866460 0.97229823 1.0 B B34 1 0.50000000 0.10133540 0.47229823 1.0 B B35 1 0.50000000 0.89866460 0.52770177 1.0