data_[Ca12Mg2Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.4737]
_cell_length_b [10.4737]
_cell_length_c [5.4531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ca6MgCd2]
_chemical_formula_sum '[Ca12 Mg2 Cd4]'
_cell_volume [598.1994]
_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  8  0.0267  0.6871  0.0000  1.0
  Ca  Ca1  4  0.1245  0.1245  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  4  0.2004  0.7996  0.5000  1.0
]