data_[Mg28Cr2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.3201]
_cell_length_b [6.2958]
_cell_length_c [10.8663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14CrCd]
_chemical_formula_sum '[Mg28 Cr2 Cd2]'
_cell_volume [706.0139]
_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  8  0.2588  0.2471  0.9150  1
  Mg  Mg1  4  0.0000  0.2496  0.5830  1
  Mg  Mg2  4  0.2508  0.0000  0.1664  1
  Mg  Mg3  4  0.2544  0.0000  0.6684  1
  Mg  Mg4  4  0.5000  0.2491  0.5854  1
  Mg  Mg5  2  0.0000  0.0000  0.3342  1
  Mg  Mg6  2  0.0000  0.0000  0.8340  1
  Cr  Cr7  2  0.5000  0.0000  0.8326  1
  Cd  Cd8  2  0.5000  0.0000  0.3330  1
]