data_[Ba12Mg8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.6029]
_cell_length_b [17.4434]
_cell_length_c [7.0744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba3Mg2Pb3]
_chemical_formula_sum '[Ba12 Mg8 Pb12]'
_cell_volume [1185.0076]
_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  8  0.0416  0.6085  0.6297  1
  Ba  Ba1  4  0.1941  0.7500  0.0932  1
  Mg  Mg2  8  0.0951  0.0981  0.8932  1
  Pb  Pb3  8  0.1993  0.5370  0.1177  1
  Pb  Pb4  4  0.1668  0.2500  0.0798  1
]