data_[Pr10Sc2Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5107]
_cell_length_b [7.7166]
_cell_length_c [16.4997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr5ScTl6]
_chemical_formula_sum '[Pr10 Sc2 Tl12]'
_cell_volume [701.6330]
_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  0.0000  0.3368  1
  Pr  Pr1  4  0.0000  0.5000  0.3246  1
  Pr  Pr2  2  0.0000  0.5000  0.0000  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  8  0.0000  0.2366  0.1590  1
  Tl  Tl5  4  0.0000  0.2735  0.5000  1
]