data_[Sc6H4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1823]
_cell_length_b [3.9237]
_cell_length_c [7.5251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.8408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(HPb)2]
_chemical_formula_sum '[Sc6 H4 Pb4]'
_cell_volume [249.7837]
_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  4  0.1903  0.0000  0.6044  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.2115  0.0000  0.3523  1.0
  Pb  Pb3  4  0.0853  0.5000  0.8019  1.0
]