data_[Ba4Hg4As8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5194]
_cell_length_b [4.5844]
_cell_length_c [9.4451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaHgAs2Pb]
_chemical_formula_sum '[Ba4 Hg4 As8 Pb4]'
_cell_volume [638.0051]
_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
[
  Ba  Ba0  4  0.2248  0.0000  0.7275  1.0
  Hg  Hg1  4  0.1001  0.0000  0.9929  1.0
  As  As2  4  0.1264  0.5000  0.8675  1.0
  As  As3  4  0.1382  0.0000  0.3033  1.0
  Pb  Pb4  4  0.0541  0.5000  0.3762  1.0
]