data_[La12Mg4Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [10.5667]
_cell_length_b [10.5667]
_cell_length_c [5.3284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [La6Mg2Cd]
_chemical_formula_sum '[La12 Mg4 Cd2]'
_cell_volume [594.9441]
_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
[
  La  La0  8  0.0138  0.3265  0.5000  1.0
  La  La1  4  0.1342  0.8658  0.0000  1.0
  Mg  Mg2  4  0.1911  0.1911  0.0000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
]