data_[Hf8Zr6Ti2]
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
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.0877]
_cell_length_b [6.4097]
_cell_length_c [5.5049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Hf4Zr3Ti]
_chemical_formula_sum '[Hf8 Zr6 Ti2]'
_cell_volume [355.9432]
_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  4  0.2468  0.8746  0.0154  1.0
  Hf  Hf1  2  0.0000  0.1229  0.8471  1.0
  Hf  Hf2  2  0.0000  0.8739  0.3535  1.0
  Zr  Zr3  4  0.2484  0.3764  0.0213  1.0
  Zr  Zr4  2  0.0000  0.3780  0.3588  1.0
  Ti  Ti5  2  0.0000  0.6312  0.8520  1.0
]