data_[Hg2P4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7504]
_cell_length_b [11.5171]
_cell_length_c [9.5734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(PBr4)2]
_chemical_formula_sum '[Hg2 P4 Br16]'
_cell_volume [1029.1539]
_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  0.0000  1.0
  P  P1  4  0.1921  0.0000  0.6520  1.0
  Br  Br2  8  0.1764  0.1529  0.7902  1.0
  Br  Br3  4  0.0738  0.5000  0.2697  1.0
  Br  Br4  4  0.2226  0.0000  0.2574  1.0
]