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 [P2]
_cell_length_a [5.9687]
_cell_length_b [7.0827]
_cell_length_c [6.0705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [ZrCrCuS4]
_chemical_formula_sum '[Zr2 Cr2 Cu2 S8]'
_cell_volume [256.3838]
_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  1  0.5000  0.2359  0.5000  1.0
  Zr  Zr1  1  0.5000  0.5163  0.0000  1.0
  Cr  Cr2  1  0.5000  0.0004  0.0000  1.0
  Cr  Cr3  1  0.5000  0.7509  0.5000  1.0
  Cu  Cu4  1  0.0000  0.5041  0.0000  1.0
  Cu  Cu5  1  0.0000  0.9945  0.0000  1.0
  S  S6  2  0.2464  0.2417  0.8339  1.0
  S  S7  2  0.2526  0.5083  0.3329  1.0
  S  S8  2  0.2546  0.7648  0.8136  1.0
  S  S9  2  0.2646  0.9841  0.3123  1.0
]