data_[Pr12Tl2Ru4]
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 [10.6409]
_cell_length_b [5.2402]
_cell_length_c [9.5057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6TlRu2]
_chemical_formula_sum '[Pr12 Tl2 Ru4]'
_cell_volume [517.1548]
_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  0.0329  0.0000  0.8488  1.0
  Pr  Pr1  4  0.1664  0.5000  0.3798  1.0
  Pr  Pr2  4  0.2027  0.5000  0.8385  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.1168  0.5000  0.0956  1.0
]