data_[Hf8Cd2In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [8.8117]
_cell_length_b [6.3008]
_cell_length_c [6.3510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Hf4CdIn3]
_chemical_formula_sum '[Hf8 Cd2 In6]'
_cell_volume [352.6099]
_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  4  0.2500  0.2434  0.2500  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Hf  Hf2  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd3  2  0.0000  0.5000  0.0000  1.0
  In  In4  4  0.2500  0.2569  0.7500  1.0
  In  In5  2  0.0000  0.0000  0.0000  1.0
]