data_[Hf24P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [10.7502]
_cell_length_b [10.7502]
_cell_length_c [5.2955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Hf3P]
_chemical_formula_sum '[Hf24 P8]'
_cell_volume [611.9808]
_cell_formula_units_Z [8]
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  0.0268  0.3622  0.4768  1.0
  Hf  Hf1  8  0.0847  0.8920  0.2685  1.0
  Hf  Hf2  8  0.1808  0.7842  0.7569  1.0
  P  P3  8  0.0403  0.2944  0.9711  1.0
]