# generated using pymatgen
data_Th10NiBSb6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40514384
_cell_length_b   9.40514485
_cell_length_c   6.53499506
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th10NiBSb6
_chemical_formula_sum   'Th10 Ni1 B1 Sb6'
_cell_volume   500.61845685
_cell_formula_units_Z   1
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  0.76093728  0.76093728  0.75868976  1.0
  Th  Th1  1  0.23906272  1.00000000  0.75868976  1.0
  Th  Th2  1  1.00000000  0.23906272  0.75868976  1.0
  Th  Th3  1  0.23906272  0.23906272  0.24131024  1.0
  Th  Th4  1  0.76093728  0.00000000  0.24131024  1.0
  Th  Th5  1  0.00000000  0.76093728  0.24131024  1.0
  Th  Th6  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th7  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th8  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th9  1  0.66666700  0.33333300  0.50000000  1.0
  Ni  Ni10  1  0.00000000  0.00000000  0.50000000  1.0
  B  B11  1  0.00000000  0.00000000  0.00000000  1.0
  Sb  Sb12  1  0.39327183  0.39327183  0.74656989  1.0
  Sb  Sb13  1  0.60672817  1.00000000  0.74656989  1.0
  Sb  Sb14  1  1.00000000  0.60672817  0.74656989  1.0
  Sb  Sb15  1  0.60672817  0.60672817  0.25343011  1.0
  Sb  Sb16  1  0.39327183  0.00000000  0.25343011  1.0
  Sb  Sb17  1  0.00000000  0.39327183  0.25343011  1.0