data_[Hf2Zr13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0131]
_cell_length_b [7.8128]
_cell_length_c [8.1303]
_cell_angle_alpha [68.6538]
_cell_angle_beta [82.5599]
_cell_angle_gamma [80.0095]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf2Zr13]
_chemical_formula_sum '[Hf2 Zr13]'
_cell_volume [349.4407]
_cell_formula_units_Z [1]
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  0.2011  0.7979  0.4005  1.0
  Zr  Zr1  2  0.0977  0.4110  0.6956  1.0
  Zr  Zr2  2  0.1331  0.2020  0.2666  1.0
  Zr  Zr3  2  0.2351  0.5901  0.9695  1.0
  Zr  Zr4  2  0.3312  0.0013  0.6648  1.0
  Zr  Zr5  2  0.4315  0.4126  0.3628  1.0
  Zr  Zr6  2  0.4671  0.2024  0.9320  1.0
  Zr  Zr7  1  0.0000  0.0000  0.0000  1.0
]