data_[Hf16Zr8Pa4]
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
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3090]
_cell_length_b [4.4980]
_cell_length_c [10.0639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4Zr2Pa]
_chemical_formula_sum '[Hf16 Zr8 Pa4]'
_cell_volume [644.4501]
_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  4  0.0734  0.0000  0.3578  1
  Hf  Hf1  4  0.1435  0.0000  0.7163  1
  Hf  Hf2  4  0.1441  0.5000  0.2121  1
  Hf  Hf3  4  0.2151  0.0000  0.0714  1
  Zr  Zr4  4  0.2153  0.5000  0.5764  1
  Zr  Zr5  2  0.0000  0.0000  0.0000  1
  Zr  Zr6  2  0.0000  0.5000  0.5000  1
  Pa  Pa7  4  0.0712  0.5000  0.8558  1
]