data_[In8F12]
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 [Pcca]
_cell_length_a [15.3593]
_cell_length_b [15.2447]
_cell_length_c [8.7841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [54]
_chemical_formula_structural [In2F3]
_chemical_formula_sum '[In8 F12]'
_cell_volume [2056.7857]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.0000  1
  In  In1  4  0.2500  0.5000  0.3060  1
  F  F2  8  0.1435  0.4920  0.4948  1
  F  F3  4  0.0000  0.4972  0.7500  1
]