data_[Nd2Er10Tl16]
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 [I-4]
_cell_length_a [9.1770]
_cell_length_b [9.1770]
_cell_length_c [9.4642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [NdEr5Tl8]
_chemical_formula_sum '[Nd2 Er10 Tl16]'
_cell_volume [797.0499]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.2500  1.0
  Er  Er1  8  0.1327  0.7722  0.8945  1.0
  Er  Er2  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl3  8  0.0733  0.6631  0.5668  1.0
  Tl  Tl4  8  0.0954  0.8364  0.2173  1.0
]