data_[Hf8Ni2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.4255]
_cell_length_b [6.4255]
_cell_length_c [5.2404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [124]
_chemical_formula_structural [Hf4NiP]
_chemical_formula_sum '[Hf8 Ni2 P2]'
_cell_volume [216.3620]
_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  8  0.1576  0.3379  0.5000  1.0
  Ni  Ni1  2  0.0000  0.0000  0.2500  1.0
  P  P2  2  0.5000  0.5000  0.2500  1.0
]