data_[Hf2Hg2P2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0562]
_cell_length_b [9.2912]
_cell_length_c [5.0648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HfHgPO6]
_chemical_formula_sum '[Hf2 Hg2 P2 O12]'
_cell_volume [233.8986]
_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  2  0.0000  0.6685  0.0000  1
  Hg  Hg1  2  0.0000  0.9676  0.5000  1
  P  P2  2  0.0000  0.3317  0.0000  1
  O  O3  4  0.1563  0.4799  0.1946  1
  O  O4  4  0.1907  0.2116  0.2028  1
  O  O5  4  0.2406  0.3247  0.8070  1
]