data_[Hg8P4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8885]
_cell_length_b [8.1664]
_cell_length_c [7.7466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2PCl2]
_chemical_formula_sum '[Hg8 P4 Cl8]'
_cell_volume [502.8825]
_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
[
  Hg  Hg0  4  0.2067  0.5000  0.4284  1
  Hg  Hg1  4  0.2500  0.2500  0.0000  1
  P  P2  4  0.1381  0.5000  0.0843  1
  Cl  Cl3  4  0.0000  0.2774  0.5000  1
  Cl  Cl4  4  0.1076  0.0000  0.2212  1
]