data_[Ca1Cd1Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4131]
_cell_length_b [4.0219]
_cell_length_c [6.9328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaCdCl4]
_chemical_formula_sum '[Ca1 Cd1 Cl4]'
_cell_volume [178.7826]
_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
[
  Ca  Ca0  1  0.0000  0.5000  0.5000  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.2229  0.5000  0.8468  1.0
  Cl  Cl3  2  0.2253  0.0000  0.3302  1.0
]