data_[Pr4Mg4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.6410]
_cell_length_b [6.5062]
_cell_length_c [6.5766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [PrMgPb3]
_chemical_formula_sum '[Pr4 Mg4 Pb12]'
_cell_volume [583.6823]
_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
[
  Pr  Pr0  4  0.3080  0.5001  0.7500  1
  Mg  Mg1  4  0.1156  0.2500  0.0000  1
  Pb  Pb2  4  0.0746  0.6865  0.7500  1
  Pb  Pb3  4  0.2702  0.5042  0.2500  1
  Pb  Pb4  4  0.4989  0.2500  0.0000  1
]