# generated using pymatgen data_Th2NiB10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17818765 _cell_length_b 5.64305200 _cell_length_c 11.20193650 _cell_angle_alpha 90.00022158 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000351 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2NiB10 _chemical_formula_sum 'Th4 Ni2 B20' _cell_volume 264.11623623 _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 Th Th0 1 0.49999997 0.30640063 0.86382155 1.0 Th Th1 1 0.50000002 0.69359678 0.13615049 1.0 Th Th2 1 0.50000004 0.80640060 0.63616285 1.0 Th Th3 1 0.49999982 0.19359722 0.36386301 1.0 Ni Ni4 1 0.00000050 0.49995536 0.50008770 1.0 Ni Ni5 1 -0.00000010 -0.00004784 -0.00007919 1.0 B B6 1 -0.00000002 0.12528469 0.54052266 1.0 B B7 1 -0.00000001 0.87471104 0.45948562 1.0 B B8 1 0.00000004 0.62529212 0.95947213 1.0 B B9 1 0.00000002 0.37470320 0.04051733 1.0 B B10 1 0.00000002 0.15367242 0.69720314 1.0 B B11 1 -0.00000009 0.84634041 0.30279940 1.0 B B12 1 0.29996060 0.20077754 0.11349356 1.0 B B13 1 0.29995419 0.79923368 0.88650346 1.0 B B14 1 0.70002936 0.70077947 0.38651167 1.0 B B15 1 0.70003656 0.29923109 0.61349030 1.0 B B16 1 0.70004583 0.79923369 0.88650346 1.0 B B17 1 0.70003937 0.20077757 0.11349355 1.0 B B18 1 0.29996345 0.29923114 0.61349028 1.0 B B19 1 0.29997051 0.70077952 0.38651165 1.0 B B20 1 -0.00000004 0.03491203 0.18813372 1.0 B B21 1 -0.00000001 0.96510718 0.81187844 1.0 B B22 1 -0.00000007 0.53490703 0.31187018 1.0 B B23 1 0.00000005 0.46511153 0.68811702 1.0 B B24 1 -0.00000001 0.34633841 0.19720600 1.0 B B25 1 0.00000001 0.65367448 0.80279002 1.0