data_[Ba4Cd4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4311]
_cell_length_b [16.1996]
_cell_length_c [6.0831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [BaCdF4]
_chemical_formula_sum '[Ba4 Cd4 F16]'
_cell_volume [436.6566]
_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
[
  Ba  Ba0  4  0.0000  0.1680  0.4398  1.0
  Cd  Cd1  4  0.0000  0.4170  0.4906  1.0
  F  F2  4  0.0000  0.0914  0.0256  1.0
  F  F3  4  0.0000  0.2971  0.7003  1.0
  F  F4  4  0.0000  0.3259  0.2117  1.0
  F  F5  4  0.0000  0.4558  0.8604  1.0
]