data_[Pr16Tl2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2664]
_cell_length_b [5.3904]
_cell_length_c [7.1011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8TlPb2]
_chemical_formula_sum '[Pr16 Tl2 Pb4]'
_cell_volume [754.0941]
_cell_formula_units_Z [2]
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  0.0152  0.0000  0.7631  1.0
  Pr  Pr1  4  0.0919  0.5000  0.4818  1.0
  Pr  Pr2  4  0.1586  0.5000  0.0063  1.0
  Pr  Pr3  4  0.2126  0.0000  0.3298  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1790  0.0000  0.7623  1.0
]