data_[Rb8Th4In4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1161]
_cell_length_b [19.7309]
_cell_length_c [14.5740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2ThInS5]
_chemical_formula_sum '[Rb8 Th4 In4 S20]'
_cell_volume [1183.6179]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.0000  0.1132  0.6803  1
  Rb  Rb1  4  0.0000  0.1375  0.3187  1
  Th  Th2  4  0.0000  0.2043  0.0248  1
  In  In3  4  0.0000  0.4440  0.4322  1
  S  S4  4  0.0000  0.0528  0.0338  1
  S  S5  4  0.0000  0.2951  0.6485  1
  S  S6  4  0.0000  0.3163  0.3923  1
  S  S7  4  0.0000  0.3406  0.0060  1
  S  S8  4  0.0000  0.4977  0.7875  1
]