data_[Ba1Zn2Cd1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4601]
_cell_length_b [5.2975]
_cell_length_c [8.1886]
_cell_angle_alpha [95.2915]
_cell_angle_beta [90.6447]
_cell_angle_gamma [97.3332]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaZn2CdF8]
_chemical_formula_sum '[Ba1 Zn2 Cd1 F8]'
_cell_volume [191.0254]
_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  0.0000  0.5000  1.0
  Zn  Zn1  2  0.4611  0.5499  0.1931  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1126  0.2622  0.8033  1.0
  F  F4  2  0.1655  0.2535  0.2340  1.0
  F  F5  2  0.3823  0.7241  0.9889  1.0
  F  F6  2  0.4398  0.7345  0.4120  1.0
]