data_[Zn4Cr8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.0839]
_cell_length_b [7.2060]
_cell_length_c [9.7159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Zn(CrS2)2]
_chemical_formula_sum '[Zn4 Cr8 S16]'
_cell_volume [495.9606]
_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
[
  Zn  Zn0  4  0.0000  0.0000  0.0000  1
  Cr  Cr1  4  0.0000  0.0000  0.5000  1
  Cr  Cr2  4  0.2500  0.2500  0.2500  1
  S  S3  8  0.0000  0.0244  0.2496  1
  S  S4  8  0.2336  0.2500  0.4954  1
]