data_[Zn4Hg4P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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/m]
_cell_length_a [9.4169]
_cell_length_b [5.4632]
_cell_length_c [8.7395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnHgPO4]
_chemical_formula_sum '[Zn4 Hg4 P4 O16]'
_cell_volume [449.4514]
_cell_formula_units_Z [4]
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
[
  Zn  Zn0  4  0.2165  0.5000  0.0910  1.0
  Hg  Hg1  4  0.1214  0.0000  0.4380  1.0
  P  P2  4  0.0967  0.5000  0.7890  1.0
  O  O3  8  0.1453  0.2764  0.8886  1.0
  O  O4  4  0.0659  0.5000  0.2401  1.0
  O  O5  4  0.1628  0.5000  0.6274  1.0
]