data_[Mg12Cd2Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8845]
_cell_length_b [6.1914]
_cell_length_c [10.6589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg6CdFe]
_chemical_formula_sum '[Mg12 Cd2 Fe2]'
_cell_volume [322.3478]
_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
[
  Mg  Mg0  4  0.0000  0.2380  0.0873  1
  Mg  Mg1  4  0.5000  0.2484  0.4163  1
  Mg  Mg2  2  0.0000  0.0000  0.3255  1
  Mg  Mg3  2  0.0000  0.0000  0.8324  1
  Cd  Cd4  2  0.5000  0.0000  0.6660  1
  Fe  Fe5  2  0.5000  0.0000  0.1689  1
]