data_[La2Pr6Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3257]
_cell_length_b [5.7609]
_cell_length_c [9.6397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaPr3Tl]
_chemical_formula_sum '[La2 Pr6 Tl2]'
_cell_volume [333.5376]
_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
[
  La  La0  2  0.2475  0.7500  0.7231  1.0
  Pr  Pr1  2  0.1423  0.2500  0.1053  1.0
  Pr  Pr2  2  0.3045  0.2500  0.4960  1.0
  Pr  Pr3  2  0.4893  0.2500  0.8795  1.0
  Tl  Tl4  2  0.0993  0.7500  0.3072  1.0
]