data_[Pr1Mg6Pb6]
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 [P6/mmm]
_cell_length_a [6.2317]
_cell_length_b [6.2317]
_cell_length_c [10.5028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Pr(MgPb)6]
_chemical_formula_sum '[Pr1 Mg6 Pb6]'
_cell_volume [353.2176]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  6  0.0000  0.5000  0.2438  1.0
  Pb  Pb2  2  0.0000  0.0000  0.3353  1.0
  Pb  Pb3  2  0.3333  0.6667  0.0000  1.0
  Pb  Pb4  2  0.3333  0.6667  0.5000  1.0
]