data_[Cs2Hg2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [5.5627]
_cell_length_b [5.9371]
_cell_length_c [8.1774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHgPO4]
_chemical_formula_sum '[Cs2 Hg2 P2 O8]'
_cell_volume [267.8787]
_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
[
  Cs  Cs0  2  0.2467  0.2500  0.8680  1.0
  Hg  Hg1  2  0.3012  0.7500  0.5207  1.0
  P  P2  2  0.1919  0.2500  0.3236  1.0
  O  O3  4  0.3682  0.0399  0.3195  1.0
  O  O4  2  0.0143  0.7500  0.8181  1.0
  O  O5  2  0.0958  0.2500  0.4973  1.0
]