data_[Zr8Hg6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [10.2809]
_cell_length_b [6.4613]
_cell_length_c [5.3302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Zr4Hg3Pb]
_chemical_formula_sum '[Zr8 Hg6 Pb2]'
_cell_volume [354.0688]
_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
[
  Zr  Zr0  4  0.0000  0.2455  0.5000  1
  Zr  Zr1  4  0.2500  0.2454  0.1291  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.2500  0.0000  0.6304  1
  Hg  Hg4  2  0.2500  0.5000  0.6171  1
  Pb  Pb5  2  0.0000  0.5000  0.0000  1
]