data_[Cr4Sn4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [6.0521]
_cell_length_b [3.4743]
_cell_length_c [16.2757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrSnS2]
_chemical_formula_sum '[Cr4 Sn4 S8]'
_cell_volume [338.2592]
_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
[
  Cr  Cr0  4  0.2500  0.2500  0.0000  1.0
  Sn  Sn1  4  0.0000  0.1197  0.2500  1.0
  S  S2  8  0.0492  0.2501  0.4202  1.0
]