data_[Ga8Hg22P8Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [13.0317]
_cell_length_b [7.5125]
_cell_length_c [22.5644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga4Hg11(PCl4)4]
_chemical_formula_sum '[Ga8 Hg22 P8 Cl32]'
_cell_volume [2172.2037]
_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
[
  Ga  Ga0  4  0.1306  0.5000  0.8870  1
  Ga  Ga1  4  0.2119  0.0000  0.6156  1
  Hg  Hg2  8  0.0058  0.2498  0.2802  1
  Hg  Hg3  4  0.0216  0.5000  0.5595  1
  Hg  Hg4  4  0.0389  0.0000  0.1195  1
  Hg  Hg5  4  0.2445  0.5000  0.7190  1
  Hg  Hg6  2  0.0000  0.0000  0.0000  1
  P  P7  4  0.0624  0.5000  0.6717  1
  P  P8  4  0.0745  0.0000  0.2331  1
  Cl  Cl9  8  0.1973  0.2638  0.8486  1
  Cl  Cl10  8  0.2166  0.2585  0.4140  1
  Cl  Cl11  4  0.0387  0.5000  0.1515  1
  Cl  Cl12  4  0.0418  0.0000  0.5855  1
  Cl  Cl13  4  0.1609  0.5000  0.9844  1
  Cl  Cl14  4  0.2430  0.0000  0.7154  1
]