data_[Hf28Zr2Ta2]
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
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1694]
_cell_length_b [6.3684]
_cell_length_c [11.0170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Hf14ZrTa]
_chemical_formula_sum '[Hf28 Zr2 Ta2]'
_cell_volume [713.4956]
_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  0.2521  0.2464  0.6246  1
  Hf  Hf1  4  0.0000  0.2493  0.4576  1
  Hf  Hf2  4  0.2486  0.0000  0.8738  1
  Hf  Hf3  4  0.2535  0.0000  0.3768  1
  Hf  Hf4  4  0.5000  0.2477  0.7919  1
  Hf  Hf5  2  0.0000  0.0000  0.2087  1
  Hf  Hf6  2  0.0000  0.0000  0.7080  1
  Zr  Zr7  2  0.5000  0.0000  0.0409  1
  Ta  Ta8  2  0.5000  0.0000  0.5439  1
]