data_[Sr3Li2Nd2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3388]
_cell_length_b [5.3388]
_cell_length_c [14.8723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3Li2(NdTl2)2]
_chemical_formula_sum '[Sr3 Li2 Nd2 Tl4]'
_cell_volume [367.1105]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.2582  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Li  Li2  2  0.3333  0.6667  0.1442  1
  Nd  Nd3  2  0.3333  0.6667  0.5717  1
  Tl  Tl4  2  0.3333  0.6667  0.3550  1
  Tl  Tl5  2  0.3333  0.6667  0.8660  1
]