data_[Sr2Hg2Pb6]
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 [Pmn2_1]
_cell_length_a [6.8098]
_cell_length_b [7.0493]
_cell_length_c [7.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SrHgPb3]
_chemical_formula_sum '[Sr2 Hg2 Pb6]'
_cell_volume [341.1277]
_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
[
  Sr  Sr0  2  0.0000  0.2486  0.4714  1.0
  Hg  Hg1  2  0.0000  0.5935  0.1323  1.0
  Pb  Pb2  4  0.2497  0.2579  0.9696  1.0
  Pb  Pb3  2  0.0000  0.8885  0.8360  1.0
]