data_[Ba2Hf2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [8.7313]
_cell_length_b [5.3379]
_cell_length_c [7.9580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaHf(PO4)2]
_chemical_formula_sum '[Ba2 Hf2 P4 O16]'
_cell_volume [370.5004]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.1425  0.5000  0.7798  1.0
  O  O3  8  0.0433  0.2631  0.8142  1.0
  O  O4  4  0.1880  0.5000  0.5974  1.0
  O  O5  4  0.2200  0.0000  0.0911  1.0
]