data_[Hf12Zr8Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4142]
_cell_length_b [4.5423]
_cell_length_c [12.9715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(ZrCd)2]
_chemical_formula_sum '[Hf12 Zr8 Cd8]'
_cell_volume [644.0971]
_cell_formula_units_Z [4]
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  4  0.0346  0.0000  0.9018  1
  Hf  Hf1  4  0.1675  0.0000  0.5053  1
  Hf  Hf2  4  0.2018  0.5000  0.9085  1
  Zr  Zr3  4  0.0603  0.5000  0.3178  1
  Zr  Zr4  4  0.1313  0.5000  0.1017  1
  Cd  Cd5  4  0.1047  0.0000  0.7002  1
  Cd  Cd6  4  0.2406  0.0000  0.3080  1
]