data_[Mg28Zr2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1727]
_cell_length_b [6.3826]
_cell_length_c [11.1626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14ZrCd]
_chemical_formula_sum '[Mg28 Zr2 Cd2]'
_cell_volume [724.7642]
_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  0.2515  0.2470  0.0842  1.0
  Mg  Mg1  4  0.0000  0.2497  0.9167  1.0
  Mg  Mg2  4  0.2499  0.0000  0.3310  1.0
  Mg  Mg3  4  0.2531  0.0000  0.8329  1.0
  Mg  Mg4  4  0.5000  0.2461  0.4184  1.0
  Mg  Mg5  2  0.0000  0.0000  0.1667  1.0
  Mg  Mg6  2  0.0000  0.0000  0.6668  1.0
  Zr  Zr7  2  0.5000  0.0000  0.1683  1.0
  Cd  Cd8  2  0.5000  0.0000  0.6637  1.0
]