data_[Ba16Sb24Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8577]
_cell_length_b [25.9738]
_cell_length_c [18.3049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba4Sb6Pb5]
_chemical_formula_sum '[Ba16 Sb24 Pb20]'
_cell_volume [2309.6064]
_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
[
  Ba  Ba0  4  0.0000  0.0118  0.9867  1
  Ba  Ba1  4  0.0000  0.0431  0.7701  1
  Ba  Ba2  4  0.0000  0.1469  0.3135  1
  Ba  Ba3  4  0.0000  0.1901  0.9499  1
  Sb  Sb4  4  0.0000  0.1209  0.1221  1
  Sb  Sb5  4  0.0000  0.2103  0.5039  1
  Sb  Sb6  4  0.0000  0.2576  0.7870  1
  Sb  Sb7  4  0.0000  0.3951  0.3862  1
  Sb  Sb8  4  0.0000  0.4433  0.1054  1
  Sb  Sb9  4  0.0000  0.4522  0.8484  1
  Pb  Pb10  4  0.0000  0.1395  0.6322  1
  Pb  Pb11  4  0.0000  0.3003  0.6327  1
  Pb  Pb12  4  0.0000  0.3178  0.2607  1
  Pb  Pb13  4  0.0000  0.3635  0.9764  1
  Pb  Pb14  4  0.0000  0.4433  0.6803  1
]