data_[Cs2Hg3Bi1Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-4m2]
_cell_length_a [5.3933]
_cell_length_b [5.3933]
_cell_length_c [12.8433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Cs2Hg3BiPb4]
_chemical_formula_sum '[Cs2 Hg3 Bi1 Pb4]'
_cell_volume [373.5892]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.0000  0.5000  0.7449  1.0
  Hg  Hg1  2  0.0000  0.5000  0.1251  1.0
  Hg  Hg2  1  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  1  0.5000  0.5000  0.5000  1.0
  Pb  Pb4  2  0.0000  0.5000  0.3663  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb6  1  0.5000  0.5000  0.0000  1.0
]