data_[Cs2Cd2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3636]
_cell_length_b [7.1651]
_cell_length_c [9.5555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCdAsS4]
_chemical_formula_sum '[Cs2 Cd2 As2 S8]'
_cell_volume [416.9717]
_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  2  0.2669  0.2500  0.0713  1.0
  Cd  Cd1  2  0.1827  0.2500  0.5165  1.0
  As  As2  2  0.2025  0.7500  0.3169  1.0
  S  S3  4  0.0318  0.0144  0.6938  1.0
  S  S4  2  0.3290  0.7500  0.1328  1.0
  S  S5  2  0.4464  0.7500  0.5326  1.0
]