data_[Hf2Mg28Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1824]
_cell_length_b [6.3516]
_cell_length_c [11.1100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfMg14Cd]
_chemical_formula_sum '[Hf2 Mg28 Cd2]'
_cell_volume [718.5410]
_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
[
  Hf  Hf0  2  0.5000  0.0000  0.6699  1
  Mg  Mg1  8  0.2548  0.2457  0.5842  1
  Mg  Mg2  4  0.0000  0.2490  0.4169  1
  Mg  Mg3  4  0.2526  0.0000  0.8298  1
  Mg  Mg4  4  0.2581  0.0000  0.3313  1
  Mg  Mg5  4  0.5000  0.2455  0.9197  1
  Mg  Mg6  2  0.0000  0.0000  0.1671  1
  Mg  Mg7  2  0.0000  0.0000  0.6667  1
  Cd  Cd8  2  0.5000  0.0000  0.1642  1
]