data_[La4Nd2Sc2Tl4]
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
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0676]
_cell_length_b [10.1195]
_cell_length_c [7.1591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [La2NdScTl2]
_chemical_formula_sum '[La4 Nd2 Sc2 Tl4]'
_cell_volume [367.1305]
_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  0.0000  0.1737  0.3198  1.0
  La  La1  2  0.5000  0.0630  0.0707  1.0
  Nd  Nd2  2  0.0000  0.4547  0.9676  1.0
  Sc  Sc3  2  0.5000  0.3053  0.6615  1.0
  Tl  Tl4  2  0.0000  0.1574  0.7838  1.0
  Tl  Tl5  2  0.5000  0.3924  0.2422  1.0
]