data_[Na2Ca12Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4722]
_cell_length_b [4.0445]
_cell_length_c [13.5618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(Ca3Cd)2]
_chemical_formula_sum '[Na2 Ca12 Cd4]'
_cell_volume [678.5765]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  4  0.0249  0.0000  0.2859  1.0
  Ca  Ca2  4  0.1423  0.5000  0.5372  1.0
  Ca  Ca3  4  0.2160  0.5000  0.8700  1.0
  Cd  Cd4  4  0.2347  0.5000  0.3049  1.0
]