data_[Sr8Hg4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2622]
_cell_length_b [5.1558]
_cell_length_c [12.1567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2HgPb2]
_chemical_formula_sum '[Sr8 Hg4 Pb8]'
_cell_volume [682.5451]
_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
[
  Sr  Sr0  4  0.0159  0.0000  0.3291  1.0
  Sr  Sr1  4  0.1820  0.0000  0.1055  1.0
  Hg  Hg2  4  0.2298  0.5000  0.3205  1.0
  Pb  Pb3  4  0.0312  0.5000  0.8880  1.0
  Pb  Pb4  4  0.1454  0.5000  0.5465  1.0
]