data_[Sc8H4Pb8]
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 [Cmc2_1]
_cell_length_a [3.5013]
_cell_length_b [15.4962]
_cell_length_c [8.0853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sc2HPb2]
_chemical_formula_sum '[Sc8 H4 Pb8]'
_cell_volume [438.6893]
_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
[
  Sc  Sc0  4  0.0000  0.1258  0.9562  1
  Sc  Sc1  4  0.0000  0.4383  0.1368  1
  H  H2  4  0.0000  0.3874  0.3569  1
  Pb  Pb3  4  0.0000  0.0711  0.3167  1
  Pb  Pb4  4  0.0000  0.2267  0.5991  1
]