data_[Pr12Tl6Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.4358]
_cell_length_b [12.1683]
_cell_length_c [5.4641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Pr6Tl3Pt]
_chemical_formula_sum '[Pr12 Tl6 Pt2]'
_cell_volume [627.3716]
_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  0.0100  0.7619  0.0000  1.0
  Pr  Pr1  4  0.1553  0.9160  0.5000  1.0
  Pr  Pr2  4  0.1842  0.5810  0.5000  1.0
  Tl  Tl3  4  0.1557  0.2652  0.5000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt5  2  0.0000  0.0000  0.0000  1.0
]