data_[Cu2Ge4I16]
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 [13.8548]
_cell_length_b [10.5867]
_cell_length_c [7.2238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(GeI4)2]
_chemical_formula_sum '[Cu2 Ge4 I16]'
_cell_volume [1058.4623]
_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  2  0.0000  0.0000  0.0000  1
  Ge  Ge1  4  0.1949  0.0000  0.6715  1
  I  I2  8  0.1059  0.1900  0.8330  1
  I  I3  4  0.1206  0.5000  0.2465  1
  I  I4  4  0.1587  0.0000  0.3128  1
]