data_[In4F10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.7401]
_cell_length_b [7.7401]
_cell_length_c [20.7492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [In2F5]
_chemical_formula_sum '[In4 F10]'
_cell_volume [1076.5163]
_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  3  0.0000  0.4993  0.5345  1
  In  In1  1  0.0000  0.0000  0.3861  1
  F  F2  6  0.2106  0.7880  0.5667  1
  F  F3  3  0.0000  0.4902  0.4403  1
  F  F4  1  0.0000  0.0000  0.2896  1
]