data_[Hf8Ta2In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3786]
_cell_length_b [4.3786]
_cell_length_c [17.7563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Hf4TaIn3]
_chemical_formula_sum '[Hf8 Ta2 In6]'
_cell_volume [340.4261]
_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  8  0.0000  0.5000  0.1197  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.0000  0.2502  1
  In  In3  2  0.0000  0.0000  0.5000  1
]