data_[Zr2Cr2Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0809]
_cell_length_b [3.5874]
_cell_length_c [6.0790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrCrCuS4]
_chemical_formula_sum '[Zr2 Cr2 Cu2 S8]'
_cell_volume [253.6214]
_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
[
  Zr  Zr0  2  0.2591  0.5000  0.7811  1.0
  Cr  Cr1  2  0.2416  0.0000  0.2256  1.0
  Cu  Cu2  2  0.0013  0.5000  0.5095  1.0
  S  S3  2  0.1190  0.5000  0.9583  1.0
  S  S4  2  0.1328  0.0000  0.4610  1.0
  S  S5  2  0.3610  0.5000  0.4983  1.0
  S  S6  2  0.3852  0.0000  0.0662  1.0
]