data_[Hf16Cr16In16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.3794]
_cell_length_b [9.8160]
_cell_length_c [17.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [HfCrIn]
_chemical_formula_sum '[Hf16 Cr16 In16]'
_cell_volume [932.8395]
_cell_formula_units_Z [16]
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  16  0.0000  0.1568  0.0000  1
  Cr  Cr1  16  0.0000  0.0000  0.1275  1
  In  In2  16  0.0000  0.0000  0.4150  1
]