data_[Hf8B2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.5178]
_cell_length_b [10.5111]
_cell_length_c [3.6326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Hf4BP2]
_chemical_formula_sum '[Hf8 B2 P4]'
_cell_volume [248.8684]
_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  0.1178  0.7021  0.0000  1.0
  Hf  Hf1  4  0.2275  0.4469  0.5000  1.0
  B  B2  2  0.0000  0.5000  0.0000  1.0
  P  P3  4  0.0924  0.1766  0.5000  1.0
]