data_[Cr2In4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [9.6172]
_cell_length_b [5.3232]
_cell_length_c [5.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrIn2F6]
_chemical_formula_sum '[Cr2 In4 F12]'
_cell_volume [290.2884]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.1937  0.5000  0.3857  1.0
  F  F2  8  0.0273  0.2523  0.2460  1.0
  F  F3  4  0.1994  0.0000  0.9472  1.0
]