data_[Hf16Zr8Sc4Ti4]
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
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9388]
_cell_length_b [10.2856]
_cell_length_c [11.8981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Hf4Zr2ScTi]
_chemical_formula_sum '[Hf16 Zr8 Sc4 Ti4]'
_cell_volume [726.7884]
_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  8  0.0000  0.0124  0.2483  1
  Hf  Hf1  8  0.2481  0.2500  0.4910  1
  Zr  Zr2  4  0.0000  0.0000  0.5000  1
  Zr  Zr3  4  0.2500  0.2500  0.7500  1
  Sc  Sc4  4  0.0000  0.0000  0.0000  1
  Ti  Ti5  4  0.2500  0.2500  0.2500  1
]