data_[Hg2Mo2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
  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 [8.5635]
_cell_length_b [5.3707]
_cell_length_c [7.6454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgMo(PO4)2]
_chemical_formula_sum '[Hg2 Mo2 P4 O16]'
_cell_volume [347.0513]
_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
[
  Hg  Hg0  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.1726  0.5000  0.2111  1.0
  O  O3  8  0.0625  0.2654  0.1922  1.0
  O  O4  4  0.2227  0.0000  0.9317  1.0
  O  O5  4  0.2389  0.0000  0.5954  1.0
]