data_[Ga4I6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3344]
_cell_length_b [7.9147]
_cell_length_c [11.6265]
_cell_angle_alpha [77.3041]
_cell_angle_beta [76.8613]
_cell_angle_gamma [86.4743]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga2I3F]
_chemical_formula_sum '[Ga4 I6 F2]'
_cell_volume [466.3063]
_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  0.1763  0.5393  0.4093  1
  Ga  Ga1  2  0.2034  0.7421  0.1155  1
  I  I2  2  0.1817  0.8874  0.3162  1
  I  I3  2  0.2547  0.2481  0.9648  1
  I  I4  2  0.4344  0.6707  0.6167  1
  F  F5  2  0.1293  0.5272  0.2445  1
]