data_[La2Pr6Tl4]
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 [Pmc2_1]
_cell_length_a [5.3319]
_cell_length_b [10.5099]
_cell_length_c [6.9632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LaPr3Tl2]
_chemical_formula_sum '[La2 Pr6 Tl4]'
_cell_volume [390.2008]
_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  0.5000  0.4530  0.5585  1
  Pr  Pr1  2  0.0000  0.0448  0.4467  1
  Pr  Pr2  2  0.0000  0.3140  0.8172  1
  Pr  Pr3  2  0.5000  0.1846  0.1795  1
  Tl  Tl4  2  0.0000  0.3644  0.2908  1
  Tl  Tl5  2  0.5000  0.1328  0.7073  1
]