data_[Zn2Cu4Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [Pmn2_1]
_cell_length_a [7.4811]
_cell_length_b [6.5340]
_cell_length_c [6.2090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [ZnCu2GeS4]
_chemical_formula_sum '[Zn2 Cu4 Ge2 S8]'
_cell_volume [303.5072]
_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
[
  Zn  Zn0  2  0.0000  0.6542  0.5014  1
  Cu  Cu1  4  0.2477  0.8281  0.9927  1
  Ge  Ge2  2  0.0000  0.3305  0.0013  1
  S  S3  4  0.2450  0.1597  0.1242  1
  S  S4  2  0.0000  0.3198  0.6343  1
  S  S5  2  0.0000  0.6579  0.1202  1
]