data_[Pr3Tm3Pb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [11.0163]
_cell_length_b [11.0163]
_cell_length_c [3.5179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Pr3Tm3Pb5]
_chemical_formula_sum '[Pr3 Tm3 Pb5]'
_cell_volume [369.7227]
_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  3  0.0000  0.6914  0.0000  1
  Tm  Tm1  3  0.0000  0.4298  0.5000  1
  Pb  Pb2  3  0.0000  0.1650  0.5000  1
  Pb  Pb3  2  0.3333  0.6667  0.5000  1
]