data_[Th4Os1S2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1370]
_cell_length_b [4.0479]
_cell_length_c [7.2272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4OsS2Cl]
_chemical_formula_sum '[Th4 Os1 S2 Cl1]'
_cell_volume [197.0660]
_cell_formula_units_Z [1]
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  2  0.2614  0.5000  0.2566  1
  Th  Th1  2  0.2671  0.0000  0.7599  1
  Os  Os2  1  0.5000  0.5000  0.0000  1
  S  S3  1  0.0000  0.5000  0.5000  1
  S  S4  1  0.5000  0.0000  0.5000  1
  Cl  Cl5  1  0.0000  0.0000  0.0000  1
]