data_[Ba1Cd2Cu1F8]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3124]
_cell_length_b [5.5688]
_cell_length_c [7.7919]
_cell_angle_alpha [90.1076]
_cell_angle_beta [95.4675]
_cell_angle_gamma [92.3048]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCd2CuF8]
_chemical_formula_sum '[Ba1 Cd2 Cu1 F8]'
_cell_volume [186.1161]
_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
  Cd  Cd1  2  0.4379  0.5003  0.2406  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.0692  0.6295  0.7326  1
  F  F4  2  0.1982  0.8680  0.2008  1
  F  F5  2  0.3225  0.2614  0.9995  1
  F  F6  2  0.4957  0.2696  0.5057  1
]