data_[Hf2Zr6Cd2]
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 [P2_1/m]
_cell_length_a [7.0276]
_cell_length_b [4.4453]
_cell_length_c [7.2653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfZr3Cd]
_chemical_formula_sum '[Hf2 Zr6 Cd2]'
_cell_volume [226.9312]
_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  0.0600  0.7500  0.8517  1
  Zr  Zr1  2  0.1524  0.2500  0.5501  1
  Zr  Zr2  2  0.2362  0.7500  0.2535  1
  Zr  Zr3  2  0.3446  0.2500  0.9713  1
  Cd  Cd4  2  0.4504  0.7500  0.6499  1
]