# generated using pymatgen
data_Th5NiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45314191
_cell_length_b   9.45314149
_cell_length_c   6.47350379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5NiSb3
_chemical_formula_sum   'Th10 Ni2 Sb6'
_cell_volume   500.98228279
_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  0.75168250  0.75168250  0.75000000  1.0
  Th  Th1  1  0.24831750  0.00000000  0.75000000  1.0
  Th  Th2  1  1.00000000  0.24831750  0.75000000  1.0
  Th  Th3  1  0.24831750  0.24831750  0.25000000  1.0
  Th  Th4  1  0.75168250  0.00000000  0.25000000  1.0
  Th  Th5  1  0.00000000  0.75168250  0.25000000  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  0.00000000  1.0
  Ni  Ni11  1  0.00000000  0.00000000  0.50000000  1.0
  Sb  Sb12  1  0.38912208  0.38912208  0.75000000  1.0
  Sb  Sb13  1  0.61087792  0.00000000  0.75000000  1.0
  Sb  Sb14  1  0.00000000  0.61087792  0.75000000  1.0
  Sb  Sb15  1  0.61087792  0.61087792  0.25000000  1.0
  Sb  Sb16  1  0.38912208  0.00000000  0.25000000  1.0
  Sb  Sb17  1  1.00000000  0.38912208  0.25000000  1.0