data_[Sc24H4Pb12]
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 [Cmcm]
_cell_length_a [12.4530]
_cell_length_b [15.2402]
_cell_length_c [4.5742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc6HPb3]
_chemical_formula_sum '[Sc24 H4 Pb12]'
_cell_volume [868.1174]
_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  8  0.1672  0.4203  0.7500  1.0
  Sc  Sc1  8  0.1673  0.2481  0.2500  1.0
  Sc  Sc2  4  0.0000  0.0763  0.2500  1.0
  Sc  Sc3  4  0.0000  0.2531  0.7500  1.0
  H  H4  4  0.0000  0.2114  0.2500  1.0
  Pb  Pb5  8  0.1658  0.0992  0.7500  1.0
  Pb  Pb6  4  0.0000  0.4047  0.2500  1.0
]