data_[Cs2Ca2Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9342]
_cell_length_b [7.1331]
_cell_length_c [9.5269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaSbS4]
_chemical_formula_sum '[Cs2 Ca2 Sb2 S8]'
_cell_volume [450.1321]
_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  0.2594  0.2500  0.0603  1.0
  Ca  Ca1  2  0.2230  0.2500  0.5500  1.0
  Sb  Sb2  2  0.2320  0.7500  0.3396  1.0
  S  S3  4  0.0031  0.0047  0.3025  1.0
  S  S4  2  0.4326  0.7500  0.1796  1.0
  S  S5  2  0.4516  0.7500  0.5788  1.0
]