data_[La5Nd1Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6536]
_cell_length_b [7.8176]
_cell_length_c [9.6201]
_cell_angle_alpha [112.7895]
_cell_angle_beta [104.4981]
_cell_angle_gamma [90.4051]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La5NdTl6]
_chemical_formula_sum '[La5 Nd1 Tl6]'
_cell_volume [376.9234]
_cell_formula_units_Z [1]
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  0.3296  0.8294  0.6585  1.0
  La  La1  2  0.3359  0.3356  0.6713  1.0
  La  La2  1  0.0000  0.5000  0.0000  1.0
  Nd  Nd3  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.1647  0.9195  0.3292  1.0
  Tl  Tl5  2  0.1649  0.4096  0.3291  1.0
  Tl  Tl6  2  0.4992  0.7597  0.9999  1.0
]