data_[Pr10Y2Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2073]
_cell_length_b [5.8736]
_cell_length_c [7.2393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5YTl5]
_chemical_formula_sum '[Pr10 Y2 Tl10]'
_cell_volume [713.6883]
_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  0.1391  0.5000  0.6462  1
  Pr  Pr1  4  0.1895  0.5000  0.1947  1
  Pr  Pr2  2  0.0000  0.0000  0.5000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  4  0.1610  0.0000  0.3862  1
  Tl  Tl5  4  0.1613  0.0000  0.9361  1
  Tl  Tl6  2  0.0000  0.5000  0.0000  1
]