data_[Sm2Hg12Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0225]
_cell_length_b [6.9012]
_cell_length_c [12.0634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmHg6Pb]
_chemical_formula_sum '[Sm2 Hg12 Pb2]'
_cell_volume [418.1296]
_cell_formula_units_Z [2]
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
[
  Sm  Sm0  2  0.0000  0.0000  0.9225  1.0
  Hg  Hg1  4  0.0000  0.2419  0.1733  1.0
  Hg  Hg2  4  0.5000  0.2447  0.8310  1.0
  Hg  Hg3  2  0.0000  0.0000  0.4072  1.0
  Hg  Hg4  2  0.5000  0.0000  0.0853  1.0
  Pb  Pb5  2  0.5000  0.0000  0.5767  1.0
]