data_[Ga2Hg22Pb34]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0944]
_cell_length_b [16.6028]
_cell_length_c [10.2381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaHg11Pb17]
_chemical_formula_sum '[Ga2 Hg22 Pb34]'
_cell_volume [1667.0441]
_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  2  0.1870  0.0000  0.8203  1
  Hg  Hg1  4  0.0054  0.1873  0.1851  1
  Hg  Hg2  4  0.2204  0.4068  0.9991  1
  Hg  Hg3  4  0.2754  0.0940  0.3678  1
  Hg  Hg4  4  0.3125  0.3099  0.8087  1
  Hg  Hg5  4  0.4087  0.4054  0.6358  1
  Hg  Hg6  2  0.3737  0.0000  0.1805  1
  Pb  Pb7  4  0.0605  0.3423  0.4083  1
  Pb  Pb8  4  0.1528  0.1491  0.6015  1
  Pb  Pb9  4  0.1761  0.1643  0.9954  1
  Pb  Pb10  4  0.2988  0.2986  0.3089  1
  Pb  Pb11  4  0.4583  0.1355  0.0027  1
  Pb  Pb12  4  0.4871  0.2004  0.6897  1
  Pb  Pb13  2  0.1553  0.5000  0.6651  1
  Pb  Pb14  2  0.1921  0.5000  0.2988  1
  Pb  Pb15  2  0.3983  0.0000  0.7143  1
  Pb  Pb16  2  0.4870  0.5000  0.3254  1
  Pb  Pb17  2  0.4949  0.5000  0.9897  1
]