data_[Hf2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0863]
_cell_length_b [7.1471]
_cell_length_c [8.5499]
_cell_angle_alpha [91.6757]
_cell_angle_beta [94.5116]
_cell_angle_gamma [105.1550]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfP2O7]
_chemical_formula_sum '[Hf2 P4 O14]'
_cell_volume [298.6688]
_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  1  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  1  0.5000  0.5000  0.5000  1.0
  P  P2  2  0.1234  0.7512  0.6897  1.0
  P  P3  2  0.4922  0.1335  0.7614  1.0
  O  O4  2  0.0546  0.7733  0.8594  1.0
  O  O5  2  0.1321  0.3043  0.4256  1.0
  O  O6  2  0.2654  0.9391  0.1753  1.0
  O  O7  2  0.2946  0.9641  0.6432  1.0
  O  O8  2  0.3071  0.6160  0.6693  1.0
  O  O9  2  0.3222  0.1723  0.8928  1.0
  O  O10  2  0.4218  0.6946  0.3412  1.0
]