data_[Cu4Ge4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5772]
_cell_length_b [8.8998]
_cell_length_c [8.1110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2Ge2I7]
_chemical_formula_sum '[Cu4 Ge4 I14]'
_cell_volume [817.1746]
_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
[
  Cu  Cu0  4  0.0000  0.3436  0.5000  1.0
  Ge  Ge1  4  0.2234  0.0000  0.0221  1.0
  I  I2  8  0.2042  0.2159  0.7140  1.0
  I  I3  4  0.0041  0.5000  0.7774  1.0
  I  I4  2  0.0000  0.0000  0.0000  1.0
]