# generated using pymatgen
data_ThNiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63935473
_cell_length_b   4.63935427
_cell_length_c   4.63935458
_cell_angle_alpha   60.00000510
_cell_angle_beta   60.00000846
_cell_angle_gamma   59.99999812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNiSn
_chemical_formula_sum   'Th1 Ni1 Sn1'
_cell_volume   70.60862014
_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  0.75000000  0.75000000  0.75000000  1.0
  Ni  Ni1  1  -0.00000000  -0.00000000  0.00000000  1.0
  Sn  Sn2  1  0.25000000  0.25000000  0.25000000  1.0