data_[Ca2Hg8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7286]
_cell_length_b [6.7727]
_cell_length_c [8.3201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca(Hg2Pb)2]
_chemical_formula_sum '[Ca2 Hg8 Pb4]'
_cell_volume [407.9392]
_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
[
  Ca  Ca0  2  0.2780  0.7500  0.0800  1.0
  Hg  Hg1  4  0.3560  0.5058  0.7635  1.0
  Hg  Hg2  2  0.0139  0.2500  0.3165  1.0
  Hg  Hg3  2  0.0979  0.7500  0.3676  1.0
  Pb  Pb4  2  0.2095  0.2500  0.0167  1.0
  Pb  Pb5  2  0.4378  0.2500  0.4603  1.0
]