data_[Pr12Tl4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5080]
_cell_length_b [5.7664]
_cell_length_c [9.1514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3TlRu]
_chemical_formula_sum '[Pr12 Tl4 Ru4]'
_cell_volume [612.7959]
_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  0.1070  0.0000  0.2226  1
  Pr  Pr1  4  0.1163  0.5000  0.9033  1
  Pr  Pr2  4  0.1605  0.0000  0.6515  1
  Tl  Tl3  4  0.1111  0.5000  0.4587  1
  Ru  Ru4  4  0.1386  0.0000  0.9364  1
]