data_[Pr4Y2Tl2]
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 [P2_1/m]
_cell_length_a [6.9149]
_cell_length_b [5.4199]
_cell_length_c [7.0336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2YTl]
_chemical_formula_sum '[Pr4 Y2 Tl2]'
_cell_volume [256.5881]
_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  2  0.1078  0.2500  0.9015  1.0
  Pr  Pr1  2  0.1648  0.2500  0.4231  1.0
  Y  Y2  2  0.3828  0.7500  0.7523  1.0
  Tl  Tl3  2  0.3825  0.7500  0.2328  1.0
]