data_[Hf8Zr24In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [11.4484]
_cell_length_b [10.7185]
_cell_length_c [7.6956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [HfZr3In]
_chemical_formula_sum '[Hf8 Zr24 In8]'
_cell_volume [944.3239]
_cell_formula_units_Z [8]
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  8  0.0000  0.1315  0.4257  1
  Zr  Zr1  16  0.1525  0.1803  0.1084  1
  Zr  Zr2  8  0.0000  0.0862  0.8175  1
  In  In3  8  0.2500  0.0626  0.7500  1
]