data_[Mg28Cd2Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.8818]
_cell_length_b [6.3188]
_cell_length_c [10.9076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14CdNi]
_chemical_formula_sum '[Mg28 Cd2 Ni2]'
_cell_volume [681.0754]
_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  0.2648  0.2411  0.9130  1.0
  Mg  Mg1  4  0.0000  0.2479  0.5825  1.0
  Mg  Mg2  4  0.2477  0.0000  0.1667  1.0
  Mg  Mg3  4  0.2597  0.0000  0.6724  1.0
  Mg  Mg4  4  0.5000  0.2482  0.0866  1.0
  Mg  Mg5  2  0.0000  0.0000  0.3351  1.0
  Mg  Mg6  2  0.0000  0.0000  0.8338  1.0
  Cd  Cd7  2  0.5000  0.0000  0.3305  1.0
  Ni  Ni8  2  0.5000  0.0000  0.8323  1.0
]