data_[Ga4Ru2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3076]
_cell_length_b [10.8726]
_cell_length_c [6.9523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2RuI8]
_chemical_formula_sum '[Ga4 Ru2 I16]'
_cell_volume [993.1050]
_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  0.1851  0.0000  0.6362  1.0
  Ru  Ru1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0831  0.1732  0.7915  1.0
  I  I3  4  0.1238  0.5000  0.2414  1.0
  I  I4  4  0.1779  0.0000  0.2543  1.0
]