data_[Zr4Hg4Pb4]
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 [C2/m]
_cell_length_a [11.5195]
_cell_length_b [3.2900]
_cell_length_c [8.2540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrHgPb]
_chemical_formula_sum '[Zr4 Hg4 Pb4]'
_cell_volume [308.5754]
_cell_formula_units_Z [4]
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  0.1488  0.5000  0.3898  1
  Hg  Hg1  4  0.1456  0.0000  0.0749  1
  Pb  Pb2  4  0.0943  0.0000  0.6975  1
]