data_[Ga4Ge2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [13.2941]
_cell_length_b [11.5926]
_cell_length_c [7.0093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2GeI8]
_chemical_formula_sum '[Ga4 Ge2 I16]'
_cell_volume [1074.0091]
_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
[
  Ga  Ga0  4  0.2003  0.0000  0.6557  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1020  0.1785  0.7732  1.0
  I  I3  4  0.1140  0.5000  0.2154  1.0
  I  I4  4  0.1949  0.0000  0.2816  1.0
]