data_[Ca2Cd1Sn1Cl8]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3289]
_cell_length_b [8.4038]
_cell_length_c [6.5410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2CdSnCl8]
_chemical_formula_sum '[Ca2 Cd1 Sn1 Cl8]'
_cell_volume [347.8964]
_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  2  0.5000  0.2433  0.5000  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.2221  0.2341  0.8297  1.0
  Cl  Cl4  2  0.2731  0.0000  0.3232  1.0
  Cl  Cl5  2  0.2839  0.5000  0.3385  1.0
]