data_[Ba4Mg4Pb12]
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 [10.2840]
_cell_length_b [5.0886]
_cell_length_c [13.1275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaMgPb3]
_chemical_formula_sum '[Ba4 Mg4 Pb12]'
_cell_volume [686.9731]
_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  0.1987  0.2500  0.9699  1.0
  Mg  Mg1  4  0.0905  0.2500  0.6541  1.0
  Pb  Pb2  4  0.0428  0.2500  0.4212  1.0
  Pb  Pb3  4  0.1168  0.7500  0.1804  1.0
  Pb  Pb4  4  0.2044  0.7500  0.7606  1.0
]