# generated using pymatgen data_LaThNiB10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19865365 _cell_length_b 5.66093207 _cell_length_c 11.24566002 _cell_angle_alpha 90.03789890 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaThNiB10 _chemical_formula_sum 'La2 Th2 Ni2 B20' _cell_volume 267.29008493 _cell_formula_units_Z 2 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 La La0 1 0.50000000 0.30859866 0.86327630 1.0 La La1 1 0.50000000 0.69140134 0.13672370 1.0 Th Th2 1 0.50000000 0.80790006 0.63585670 1.0 Th Th3 1 0.50000000 0.19209994 0.36414330 1.0 Ni Ni4 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.00000000 0.00000000 0.00000000 1.0 B B6 1 0.00000000 0.12595995 0.54018507 1.0 B B7 1 0.00000000 0.87404005 0.45981493 1.0 B B8 1 0.00000000 0.62664659 0.95787074 1.0 B B9 1 0.00000000 0.37335341 0.04212926 1.0 B B10 1 0.00000000 0.15477170 0.69653729 1.0 B B11 1 0.00000000 0.84522830 0.30346271 1.0 B B12 1 0.29901031 0.20088156 0.11435760 1.0 B B13 1 0.29901031 0.79911844 0.88564240 1.0 B B14 1 0.70002313 0.70142602 0.38721715 1.0 B B15 1 0.70002313 0.29857398 0.61278285 1.0 B B16 1 0.70098969 0.79911844 0.88564240 1.0 B B17 1 0.70098969 0.20088156 0.11435760 1.0 B B18 1 0.29997687 0.29857398 0.61278285 1.0 B B19 1 0.29997687 0.70142602 0.38721715 1.0 B B20 1 0.00000000 0.03570757 0.18868359 1.0 B B21 1 0.00000000 0.96429243 0.81131641 1.0 B B22 1 0.00000000 0.53444783 0.31335590 1.0 B B23 1 0.00000000 0.46555217 0.68664410 1.0 B B24 1 0.00000000 0.34429475 0.19819925 1.0 B B25 1 0.00000000 0.65570525 0.80180075 1.0