[CIF]
data_ThGeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03060851
_cell_length_b   9.03060851
_cell_length_c   9.03060851
_cell_angle_alpha   154.61340371
_cell_angle_beta   154.61340371
_cell_angle_gamma   36.20864158
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThGeS
_chemical_formula_sum   'Th2 Ge2 S2'
_cell_volume   135.19064302
_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
  S  S0  1  0.00000000  0.00000000  11.79458785  1
  S  S1  1  -0.00000000  0.00000000  5.37245985  1
  Ge  Ge2  1  1.98431453  0.00000000  -0.00000000  1
  Ge  Ge3  1  0.00000000  1.98431453  -0.00000000  1
  Th  Th4  1  0.00000000  0.00000000  14.75624538  1
  Th  Th5  1  -0.00000000  0.00000000  2.41080233  1
[/CIF]
