data_[Cr4In4F16]
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/c]
_cell_length_a [13.5961]
_cell_length_b [5.1169]
_cell_length_c [5.4830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrInF4]
_chemical_formula_sum '[Cr4 In4 F16]'
_cell_volume [365.4560]
_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
[
  Cr  Cr0  4  0.2500  0.2500  0.0000  1.0
  In  In1  4  0.0000  0.2640  0.2500  1.0
  F  F2  8  0.1115  0.1217  0.9280  1.0
  F  F3  8  0.2095  0.4537  0.6810  1.0
]