data_[Pr8Mg8Pb12]
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 [C2/m]
_cell_length_a [16.8386]
_cell_length_b [4.8208]
_cell_length_c [13.0340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Mg2Pb3]
_chemical_formula_sum '[Pr8 Mg8 Pb12]'
_cell_volume [846.9176]
_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  0.0821  0.5000  0.9289  1
  Pr  Pr1  4  0.2348  0.5000  0.3319  1
  Mg  Mg2  4  0.0485  0.0000  0.3187  1
  Mg  Mg3  4  0.0959  0.5000  0.6697  1
  Pb  Pb4  4  0.1013  0.0000  0.1308  1
  Pb  Pb5  4  0.1280  0.5000  0.4719  1
  Pb  Pb6  4  0.1755  0.0000  0.8443  1
]