data_[In4Ga2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4912]
_cell_length_b [7.2675]
_cell_length_c [5.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2GaF6]
_chemical_formula_sum '[In4 Ga2 F12]'
_cell_volume [304.6051]
_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
[
  In  In0  4  0.1696  0.5000  0.4498  1.0
  Ga  Ga1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1420  0.1803  0.2342  1.0
  F  F3  4  0.1411  0.0000  0.7696  1.0
]