data_[Ba2Zn1Hg6Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7469]
_cell_length_b [7.3265]
_cell_length_c [7.6688]
_cell_angle_alpha [86.5991]
_cell_angle_beta [78.2673]
_cell_angle_gamma [78.9651]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2ZnHg6Pb]
_chemical_formula_sum '[Ba2 Zn1 Hg6 Pb1]'
_cell_volume [310.2302]
_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
[
  Ba  Ba0  2  0.4766  0.7279  0.2170  1.0
  Zn  Zn1  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.0408  0.3755  0.1671  1.0
  Hg  Hg3  2  0.1395  0.1173  0.5655  1.0
  Hg  Hg4  2  0.4507  0.7659  0.7224  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0000  1.0
]