data_[Cr4Cu4Ge4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.0158]
_cell_length_b [7.0948]
_cell_length_c [9.9355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CrCuGeS4]
_chemical_formula_sum '[Cr4 Cu4 Ge4 S16]'
_cell_volume [494.5484]
_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  0.2500  1.0
  Cu  Cu1  4  0.0000  0.2500  0.6310  1.0
  Ge  Ge2  4  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.0000  0.0198  0.2432  1.0
  S  S4  8  0.2414  0.2500  0.0098  1.0
]