data_[Hf12Tc10W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6436]
_cell_length_b [6.5528]
_cell_length_c [13.8561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf6Tc5W]
_chemical_formula_sum '[Hf12 Tc10 W2]'
_cell_volume [421.6254]
_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  0.2527  0.1687  1
  Hf  Hf1  4  0.0000  0.2446  0.5000  1
  Tc  Tc2  4  0.0000  0.0000  0.3323  1
  Tc  Tc3  4  0.0000  0.5000  0.3370  1
  Tc  Tc4  2  0.0000  0.5000  0.0000  1
  W  W5  2  0.0000  0.0000  0.0000  1
]