data_[Ba4Pm4Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8445]
_cell_length_b [24.6888]
_cell_length_c [6.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaPmPb4]
_chemical_formula_sum '[Ba4 Pm4 Pb16]'
_cell_volume [827.4862]
_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  0.2767  0.2500  1
  Pm  Pm1  4  0.0000  0.4345  0.7500  1
  Pb  Pb2  8  0.0000  0.1424  0.0171  1
  Pb  Pb3  4  0.0000  0.0000  0.0000  1
  Pb  Pb4  4  0.0000  0.4235  0.2500  1
]