data_[Hf2Cr2Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [13.1215]
_cell_length_b [3.5758]
_cell_length_c [6.0409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HfCrCuS4]
_chemical_formula_sum '[Hf2 Cr2 Cu2 S8]'
_cell_volume [253.5409]
_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
[
  Hf  Hf0  2  0.2561  0.5000  0.7445  1.0
  Cr  Cr1  2  0.2437  0.0000  0.2573  1.0
  Cu  Cu2  2  0.0005  0.5000  0.4842  1.0
  S  S3  2  0.1245  0.5000  0.2878  1.0
  S  S4  2  0.1312  0.0000  0.8088  1.0
  S  S5  2  0.3643  0.5000  0.2182  1.0
  S  S6  2  0.3797  0.0000  0.6992  1.0
]