data_[Ca2Cd22Sn2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1587]
_cell_length_b [14.2972]
_cell_length_c [7.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCd11Sn]
_chemical_formula_sum '[Ca2 Cd22 Sn2]'
_cell_volume [629.7437]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.0000  1
  Cd  Cd1  8  0.0904  0.3931  0.2085  1
  Cd  Cd2  8  0.1819  0.1793  0.3502  1
  Cd  Cd3  4  0.2500  0.2500  0.0000  1
  Cd  Cd4  2  0.0000  0.5000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.5000  1
]