data_[Hf8Co16P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.1521]
_cell_length_b [6.3782]
_cell_length_c [4.9209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfCo2P]
_chemical_formula_sum '[Hf8 Co16 P8]'
_cell_volume [412.8024]
_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  4  0.1109  0.2500  0.7403  1
  Hf  Hf1  4  0.1363  0.7500  0.5163  1
  Co  Co2  8  0.0358  0.0506  0.2462  1
  Co  Co3  8  0.2140  0.5525  0.0311  1
  P  P4  4  0.0688  0.7500  0.0165  1
  P  P5  4  0.1826  0.2500  0.2512  1
]