data_[Ba8Mg16Pb48]
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 [Fd-3m]
_cell_length_a [13.8593]
_cell_length_b [13.8593]
_cell_length_c [13.8593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Ba(MgPb3)2]
_chemical_formula_sum '[Ba8 Mg16 Pb48]'
_cell_volume [2662.0749]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.5000  1
  Mg  Mg1  16  0.1250  0.1250  0.1250  1
  Pb  Pb2  48  0.0000  0.0000  0.2481  1
]