data_[Cd2Ga4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5240]
_cell_length_b [10.8659]
_cell_length_c [11.5893]
_cell_angle_alpha [71.9591]
_cell_angle_beta [84.8778]
_cell_angle_gamma [86.4081]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd(GaI3)2]
_chemical_formula_sum '[Cd2 Ga4 I12]'
_cell_volume [896.6970]
_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
[
  Cd  Cd0  2  0.0383  0.2007  0.1900  1.0
  Ga  Ga1  2  0.0012  0.3864  0.8429  1.0
  Ga  Ga2  2  0.1503  0.7832  0.4115  1.0
  I  I3  2  0.1804  0.2019  0.6189  1.0
  I  I4  2  0.1865  0.8414  0.9685  1.0
  I  I5  2  0.2287  0.7197  0.6417  1.0
  I  I6  2  0.2560  0.4112  0.0762  1.0
  I  I7  2  0.3011  0.0102  0.3103  1.0
  I  I8  2  0.3271  0.6158  0.3270  1.0
]