data_[K1Ca1Cd2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7880]
_cell_length_b [5.6457]
_cell_length_c [8.5247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [KCaCd2F8]
_chemical_formula_sum '[K1 Ca1 Cd2 F8]'
_cell_volume [182.3091]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.5000  0.5000  0.2220  1.0
  F  F3  4  0.0000  0.2569  0.2309  1.0
  F  F4  2  0.5000  0.2473  0.0000  1.0
  F  F5  2  0.5000  0.3270  0.5000  1.0
]