data_[Ba1Cd2Fe1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8294]
_cell_length_b [7.4440]
_cell_length_c [5.4332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaCd2FeF8]
_chemical_formula_sum '[Ba1 Cd2 Fe1 F8]'
_cell_volume [195.2931]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1.0
  Cd  Cd1  2  0.5000  0.2326  0.5000  1.0
  Fe  Fe2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1501  0.2076  0.2309  1.0
  F  F4  2  0.3287  0.0000  0.7417  1.0
  F  F5  2  0.4342  0.5000  0.7280  1.0
]