data_[Mg18Cd18Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.7100]
_cell_length_b [7.7100]
_cell_length_c [19.9935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg3Cd3Sn]
_chemical_formula_sum '[Mg18 Cd18 Sn6]'
_cell_volume [1029.2750]
_cell_formula_units_Z [6]
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
[
  Mg  Mg0  18  0.0204  0.7588  0.7122  1
  Cd  Cd1  18  0.0403  0.2509  0.1306  1
  Sn  Sn2  6  0.0000  0.0000  0.4023  1
]