data_[In2Ge2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8577]
_cell_length_b [6.0163]
_cell_length_c [7.3881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InGeF3]
_chemical_formula_sum '[In2 Ge2 F6]'
_cell_volume [208.1459]
_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  2  0.1606  0.7500  0.8227  1.0
  Ge  Ge1  2  0.4239  0.7500  0.3512  1.0
  F  F2  4  0.2994  0.5284  0.1634  1.0
  F  F3  2  0.2083  0.2500  0.6818  1.0
]