data_[Pm36Tl3Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.0207]
_cell_length_b [14.0207]
_cell_length_c [12.5106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12TlPb6]
_chemical_formula_sum '[Pm36 Tl3 Pb18]'
_cell_volume [2129.8340]
_cell_formula_units_Z [3]
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
[
  Pm  Pm0  18  0.0281  0.8318  0.3875  1
  Pm  Pm1  18  0.0578  0.8407  0.8874  1
  Tl  Tl2  3  0.0000  0.0000  0.0000  1
  Pb  Pb3  18  0.0393  0.7705  0.6449  1
]