# generated using pymatgen
data_ThCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47797540
_cell_length_b   6.47758762
_cell_length_c   7.94258309
_cell_angle_alpha   114.04958194
_cell_angle_beta   114.05916655
_cell_angle_gamma   89.99520216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCl4
_chemical_formula_sum   'Th2 Cl8'
_cell_volume   272.34551956
_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  0.12506732  0.37502597  0.25000866  1.0
  Th  Th1  1  0.87493268  0.62497403  0.74999134  1.0
  Cl  Cl2  1  0.46316340  0.33108154  0.59748922  1.0
  Cl  Cl3  1  0.73368670  0.03700915  0.90251333  1.0
  Cl  Cl4  1  0.83112166  0.63442788  0.09757287  1.0
  Cl  Cl5  1  0.26631330  0.96299085  0.09748667  1.0
  Cl  Cl6  1  0.16887834  0.36557212  0.90242713  1.0
  Cl  Cl7  1  0.53683660  0.66891846  0.40251078  1.0
  Cl  Cl8  1  0.86564554  0.23365430  0.40247954  1.0
  Cl  Cl9  1  0.13435446  0.76634570  0.59752046  1.0