data_[Ti1Cr1In2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1958]
_cell_length_b [6.6447]
_cell_length_c [6.6722]
_cell_angle_alpha [96.0347]
_cell_angle_beta [97.1731]
_cell_angle_gamma [98.8208]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiCrIn2F8]
_chemical_formula_sum '[Ti1 Cr1 In2 F8]'
_cell_volume [224.0271]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Cr  Cr1  1  0.0000  0.5000  0.0000  1.0
  In  In2  2  0.3266  0.7306  0.5358  1.0
  F  F3  2  0.0716  0.4909  0.7123  1.0
  F  F4  2  0.0978  0.9817  0.7368  1.0
  F  F5  2  0.2122  0.7941  0.0720  1.0
  F  F6  2  0.2751  0.2212  0.0900  1.0
]