data_[Sr12Hg8Pb12]
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 [Cmcm]
_cell_length_a [5.1519]
_cell_length_b [12.0845]
_cell_length_c [16.9347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Hg2Pb3]
_chemical_formula_sum '[Sr12 Hg8 Pb12]'
_cell_volume [1054.3178]
_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  8  0.0000  0.0938  0.6100  1
  Sr  Sr1  4  0.0000  0.3619  0.7500  1
  Hg  Hg2  8  0.0000  0.1910  0.1126  1
  Pb  Pb3  8  0.0000  0.3754  0.5299  1
  Pb  Pb4  4  0.0000  0.3510  0.2500  1
]