data_[Hf4Zr2Cd2]
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 [Pm]
_cell_length_a [6.4264]
_cell_length_b [4.3461]
_cell_length_c [7.0561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hf2ZrCd]
_chemical_formula_sum '[Hf4 Zr2 Cd2]'
_cell_volume [177.2917]
_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  1  0.3005  0.0000  0.5451  1.0
  Hf  Hf1  1  0.4442  0.5000  0.3123  1.0
  Hf  Hf2  1  0.6489  0.5000  0.7993  1.0
  Hf  Hf3  1  0.9372  0.5000  0.3272  1.0
  Zr  Zr4  1  0.5802  0.0000  0.0718  1.0
  Zr  Zr5  1  0.7983  0.0000  0.5703  1.0
  Cd  Cd6  1  0.0590  0.0000  0.0591  1.0
  Cd  Cd7  1  0.1794  0.5000  0.8197  1.0
]