data_[Ga4Ni2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3986]
_cell_length_b [9.5701]
_cell_length_c [7.9053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2NiI8]
_chemical_formula_sum '[Ga4 Ni2 I16]'
_cell_volume [1075.5735]
_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  0.2119  0.0000  0.3408  1.0
  Ni  Ni1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1049  0.1889  0.1501  1.0
  I  I3  4  0.1194  0.5000  0.7085  1.0
  I  I4  4  0.1858  0.0000  0.6505  1.0
]