data_[Hf8Sb2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5248]
_cell_length_b [5.8059]
_cell_length_c [6.4819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf4SbP]
_chemical_formula_sum '[Hf8 Sb2 P2]'
_cell_volume [274.9718]
_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  4  0.1792  0.7162  0.8237  1
  Hf  Hf1  4  0.2458  0.2053  0.6269  1
  Sb  Sb2  2  0.5000  0.0000  0.0000  1
  P  P3  2  0.0000  0.0000  0.0000  1
]