data_[Ga2Ag4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2286]
_cell_length_b [7.7372]
_cell_length_c [13.2565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ga(AgI3)2]
_chemical_formula_sum '[Ga2 Ag4 I12]'
_cell_volume [675.2372]
_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  0.5000  0.0000  0.5000  1
  Ag  Ag1  4  0.1202  0.1345  0.6462  1
  I  I2  4  0.1398  0.0541  0.2789  1
  I  I3  4  0.2522  0.6895  0.0711  1
  I  I4  4  0.4034  0.2039  0.0807  1
]