# generated using pymatgen
data_ThCuNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41289432
_cell_length_b   4.41289432
_cell_length_c   10.34076933
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCuNiSn2
_chemical_formula_sum   'Th2 Cu2 Ni2 Sn4'
_cell_volume   201.37238095
_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  0.00000000  0.50000000  0.24609732  1.0
  Th  Th1  1  0.50000000  0.00000000  0.75390268  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.37318285  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.62681715  1.0
  Sn  Sn6  1  0.50000000  0.00000000  0.13284671  1.0
  Sn  Sn7  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn8  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn9  1  0.00000000  0.50000000  0.86715329  1.0