data_[Ga2Cu4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0472]
_cell_length_b [12.0579]
_cell_length_c [6.9838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga(CuI4)2]
_chemical_formula_sum '[Ga2 Cu4 I16]'
_cell_volume [968.7130]
_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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.1979  0.0000  0.6788  1.0
  I  I2  8  0.0985  0.1571  0.8184  1.0
  I  I3  4  0.0744  0.5000  0.2018  1.0
  I  I4  4  0.2260  0.0000  0.3352  1.0
]