data_[Hf12Ta4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3155]
_cell_length_b [3.6308]
_cell_length_c [7.3510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3TaSb]
_chemical_formula_sum '[Hf12 Ta4 Sb4]'
_cell_volume [423.8955]
_cell_formula_units_Z [4]
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  0.0989  0.5000  0.5420  1.0
  Hf  Hf1  4  0.1006  0.5000  0.0586  1.0
  Hf  Hf2  4  0.2039  0.0000  0.8402  1.0
  Ta  Ta3  4  0.2002  0.0000  0.3627  1.0
  Sb  Sb4  4  0.0041  0.0000  0.7526  1.0
]