data_[Hf2Zr2Nb4]
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
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.3228]
_cell_length_b [5.0298]
_cell_length_c [9.7840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [HfZrNb2]
_chemical_formula_sum '[Hf2 Zr2 Nb4]'
_cell_volume [163.5237]
_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  0.0000  0.0000  0.9820  1.0
  Zr  Zr1  2  0.0000  0.5000  0.2661  1.0
  Nb  Nb2  2  0.0000  0.0000  0.5142  1.0
  Nb  Nb3  2  0.0000  0.5000  0.7377  1.0
]