data_[Zr2Hg4Pb2]
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 [Cm]
_cell_length_a [11.5094]
_cell_length_b [3.3094]
_cell_length_c [5.6564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrHg2Pb]
_chemical_formula_sum '[Zr2 Hg4 Pb2]'
_cell_volume [195.0026]
_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  2  0.2398  0.5000  0.3470  1.0
  Hg  Hg1  2  0.0168  0.0000  0.9234  1.0
  Hg  Hg2  2  0.2583  0.0000  0.8252  1.0
  Pb  Pb3  2  0.4851  0.0000  0.4043  1.0
]