# generated using pymatgen
data_Th(CuSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43898880
_cell_length_b   4.43898880
_cell_length_c   10.55907541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(CuSn)2
_chemical_formula_sum   'Th2 Cu4 Sn4'
_cell_volume   208.06258505
_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  0.75000000  0.75000000  0.23954966  1.0
  Th  Th1  1  0.24999900  0.24999900  0.76045034  1.0
  Cu  Cu2  1  0.75000000  0.24999900  -0.00000000  1.0
  Cu  Cu3  1  0.24999900  0.75000000  -0.00000000  1.0
  Cu  Cu4  1  0.24999900  0.24999900  0.36394436  1.0
  Cu  Cu5  1  0.75000000  0.75000000  0.63605464  1.0
  Sn  Sn6  1  0.24999900  0.24999900  0.12801680  1.0
  Sn  Sn7  1  0.75000000  0.24999900  0.50000000  1.0
  Sn  Sn8  1  0.24999900  0.75000000  0.50000000  1.0
  Sn  Sn9  1  0.75000000  0.75000000  0.87198320  1.0