# generated using pymatgen
data_ThCoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34355300
_cell_length_b   7.34355248
_cell_length_c   4.05039608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCoSn
_chemical_formula_sum   'Th3 Co3 Sn3'
_cell_volume   189.16489857
_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  -0.00000000  0.58577897  0.50000000  1.0
  Th  Th1  1  0.41422103  0.41422103  0.50000000  1.0
  Th  Th2  1  0.58577897  0.00000000  0.50000000  1.0
  Co  Co3  1  0.33333300  0.66666700  -0.00000000  1.0
  Co  Co4  1  -0.00000000  0.00000000  0.50000000  1.0
  Co  Co5  1  0.66666700  0.33333300  -0.00000000  1.0
  Sn  Sn6  1  0.75235731  0.75235731  0.00000000  1.0
  Sn  Sn7  1  0.00000000  0.24764269  -0.00000000  1.0
  Sn  Sn8  1  0.24764269  0.00000000  0.00000000  1.0