data_[Hf2Zr28Ti2]
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 [Amm2]
_cell_length_a [9.6685]
_cell_length_b [7.7996]
_cell_length_c [9.7096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfZr14Ti]
_chemical_formula_sum '[Hf2 Zr28 Ti2]'
_cell_volume [732.2020]
_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  2  0.5000  0.0000  0.1167  1
  Zr  Zr1  8  0.2578  0.2163  0.6244  1
  Zr  Zr2  4  0.0000  0.2107  0.4059  1
  Zr  Zr3  4  0.2359  0.0000  0.9004  1
  Zr  Zr4  4  0.2688  0.0000  0.3511  1
  Zr  Zr5  4  0.5000  0.2147  0.8456  1
  Zr  Zr6  2  0.0000  0.0000  0.1332  1
  Zr  Zr7  2  0.0000  0.0000  0.6870  1
  Ti  Ti8  2  0.5000  0.0000  0.5596  1
]