data_[Cs4Th4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9304]
_cell_length_b [5.4444]
_cell_length_c [8.7728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Th2S5]
_chemical_formula_sum '[Cs4 Th4 S10]'
_cell_volume [744.7814]
_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
[
  Cs  Cs0  4  0.1143  0.5000  0.3558  1
  Th  Th1  4  0.1493  0.0000  0.8966  1
  S  S2  4  0.1403  0.0000  0.6051  1
  S  S3  4  0.1753  0.5000  0.9724  1
  S  S4  2  0.0000  0.0000  0.0000  1
]