data_[Nd4Er12Tl8]
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 [C2/m]
_cell_length_a [16.4011]
_cell_length_b [5.3886]
_cell_length_c [9.2714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdEr3Tl2]
_chemical_formula_sum '[Nd4 Er12 Tl8]'
_cell_volume [714.3305]
_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  4  0.1317  0.0000  0.1717  1.0
  Er  Er1  4  0.0602  0.0000  0.7146  1.0
  Er  Er2  4  0.1150  0.5000  0.5405  1.0
  Er  Er3  4  0.1932  0.5000  0.9889  1.0
  Tl  Tl4  4  0.0180  0.5000  0.1723  1.0
  Tl  Tl5  4  0.2217  0.0000  0.5953  1.0
]