data_[Ca2Hg2Bi4Pb4]
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
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6893]
_cell_length_b [10.6093]
_cell_length_c [7.8233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaHg(BiPb)2]
_chemical_formula_sum '[Ca2 Hg2 Bi4 Pb4]'
_cell_volume [389.2124]
_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  0.0000  0.4499  0.9591  1.0
  Hg  Hg1  2  0.5000  0.3380  0.6809  1.0
  Bi  Bi2  2  0.0000  0.1514  0.7607  1.0
  Bi  Bi3  2  0.5000  0.3716  0.2453  1.0
  Pb  Pb4  2  0.0000  0.1640  0.3465  1.0
  Pb  Pb5  2  0.5000  0.0640  0.0531  1.0
]