data_[Cd4In4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [12.6796]
_cell_length_b [4.4090]
_cell_length_c [8.8141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdInF4]
_chemical_formula_sum '[Cd4 In4 F16]'
_cell_volume [448.6417]
_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
[
  Cd  Cd0  4  0.1251  0.0000  0.1998  1.0
  In  In1  4  0.1277  0.0000  0.7023  1.0
  F  F2  4  0.0740  0.0000  0.4216  1.0
  F  F3  4  0.0774  0.0000  0.9191  1.0
  F  F4  4  0.1698  0.5000  0.7237  1.0
  F  F5  4  0.1759  0.5000  0.2307  1.0
]