data_[Cd4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3432]
_cell_length_b [3.7026]
_cell_length_c [6.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdOF]
_chemical_formula_sum '[Cd4 O4 F4]'
_cell_volume [163.6321]
_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  0.1711  0.5000  0.7554  1.0
  O  O1  4  0.0932  0.0000  0.9590  1.0
  F  F2  4  0.1470  0.5000  0.3696  1.0
]