data_[Cs4Cr2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0852]
_cell_length_b [8.7460]
_cell_length_c [7.2540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.1996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cs2CrSnS4]
_chemical_formula_sum '[Cs4 Cr2 Sn2 S8]'
_cell_volume [509.6555]
_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  0.0000  0.5117  0.5000  1.0
  Cs  Cs1  2  0.0000  0.7892  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0123  0.5000  1.0
  Sn  Sn3  2  0.0000  0.3036  0.0000  1.0
  S  S4  4  0.1224  0.1300  0.8456  1.0
  S  S5  4  0.2014  0.8682  0.5734  1.0
]