# generated using pymatgen
data_ThInNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33698469
_cell_length_b   7.33698469
_cell_length_c   4.14111165
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThInNi
_chemical_formula_sum   'Th3 In3 Ni3'
_cell_volume   193.05578550
_cell_formula_units_Z   3
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  0.41810316  0.00000000  0.50000000  1.0
  Th  Th1  1  0.00000000  0.41810316  0.50000000  1.0
  Th  Th2  1  0.58189684  0.58189684  0.50000000  1.0
  In  In3  1  0.75757851  0.00000000  0.00000000  1.0
  In  In4  1  0.00000000  0.75757851  0.00000000  1.0
  In  In5  1  0.24242149  0.24242149  -0.00000000  1.0
  Ni  Ni6  1  0.33333300  0.66666700  0.00000000  1.0
  Ni  Ni7  1  0.66666700  0.33333300  -0.00000000  1.0
  Ni  Ni8  1  -0.00000000  -0.00000000  0.50000000  1.0