data_[Nd1Tl3W2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9457]
_cell_length_b [5.9457]
_cell_length_c [7.4380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NdTl3W2O9]
_chemical_formula_sum '[Nd1 Tl3 W2 O9]'
_cell_volume [227.7122]
_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
[
  Nd  Nd0  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.3333  0.6667  0.3228  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  W  W3  2  0.3333  0.6667  0.8406  1.0
  O  O4  6  0.1812  0.3623  0.6984  1.0
  O  O5  3  0.0000  0.5000  0.0000  1.0
]