data_[Sc2Hg4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6754]
_cell_length_b [3.4820]
_cell_length_c [5.2978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScHg2Pb]
_chemical_formula_sum '[Sc2 Hg4 Pb2]'
_cell_volume [200.0869]
_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
[
  Sc  Sc0  2  0.2659  0.0000  0.6796  1
  Hg  Hg1  2  0.2362  0.5000  0.1906  1
  Hg  Hg2  2  0.4731  0.5000  0.0470  1
  Pb  Pb3  2  0.0248  0.5000  0.5828  1
]