data_[Ca2Cd4Sn4]
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 [P4/nmm]
_cell_length_a [4.7605]
_cell_length_b [4.7605]
_cell_length_c [12.4825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Ca(CdSn)2]
_chemical_formula_sum '[Ca2 Cd4 Sn4]'
_cell_volume [282.8856]
_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  0.5000  0.7503  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.3602  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  2  0.0000  0.5000  0.1400  1.0
]