data_[Hf6Sb2P2]
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/m]
_cell_length_a [6.3185]
_cell_length_b [3.8877]
_cell_length_c [8.4886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3SbP]
_chemical_formula_sum '[Hf6 Sb2 P2]'
_cell_volume [207.5903]
_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  0.0242  0.2500  0.6623  1
  Hf  Hf1  2  0.3203  0.7500  0.9085  1
  Hf  Hf2  2  0.4810  0.7500  0.3336  1
  Sb  Sb3  2  0.1996  0.2500  0.1468  1
  P  P4  2  0.2637  0.7500  0.5807  1
]