data_[Nd8Er8Tl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.2646]
_cell_length_b [7.2538]
_cell_length_c [9.8314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Nd2Er2Tl5]
_chemical_formula_sum '[Nd8 Er8 Tl20]'
_cell_volume [1088.5933]
_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  0.1282  0.5354  0.0634  1
  Er  Er1  4  0.0000  0.0000  0.9977  1
  Er  Er2  4  0.2500  0.0193  0.1256  1
  Tl  Tl3  8  0.0423  0.6944  0.7769  1
  Tl  Tl4  8  0.1522  0.2084  0.8431  1
  Tl  Tl5  4  0.2500  0.7022  0.3458  1
]