data_[Nd8Tm8Tl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.2754]
_cell_length_b [7.2379]
_cell_length_c [9.8060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Nd2Tm2Tl5]
_chemical_formula_sum '[Nd8 Tm8 Tl20]'
_cell_volume [1084.1671]
_cell_formula_units_Z [4]
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  8  0.1283  0.5354  0.0632  1
  Tm  Tm1  4  0.0000  0.0000  0.9976  1
  Tm  Tm2  4  0.2500  0.0198  0.1257  1
  Tl  Tl3  8  0.0418  0.6948  0.7766  1
  Tl  Tl4  8  0.1523  0.2077  0.8436  1
  Tl  Tl5  4  0.2500  0.7028  0.3458  1
]