data_[Ti2In2Ga2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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]
_cell_length_a [5.6823]
_cell_length_b [12.4151]
_cell_length_c [4.9322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TiInGaF6]
_chemical_formula_sum '[Ti2 In2 Ga2 F12]'
_cell_volume [347.3294]
_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
[
  Ti  Ti0  2  0.0000  0.3406  0.0000  1.0
  In  In1  2  0.0000  0.6495  0.0000  1.0
  Ga  Ga2  2  0.0000  0.9627  0.5000  1.0
  F  F3  4  0.1243  0.2334  0.7828  1.0
  F  F4  4  0.1354  0.4507  0.7896  1.0
  F  F5  4  0.2115  0.8394  0.7724  1.0
]