data_[Pr12Tl4Os2]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0103]
_cell_length_b [15.4802]
_cell_length_c [8.9811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr6Tl2Os]
_chemical_formula_sum '[Pr12 Tl4 Os2]'
_cell_volume [557.5534]
_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  0.0000  0.1163  0.1208  1.0
  Pr  Pr1  4  0.5000  0.1953  0.8067  1.0
  Pr  Pr2  2  0.0000  0.0000  0.7561  1.0
  Pr  Pr3  2  0.5000  0.0000  0.3969  1.0
  Tl  Tl4  4  0.0000  0.1686  0.5019  1.0
  Os  Os5  2  0.5000  0.0000  0.9883  1.0
]