data_[Nd4Er8Tl8]
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 [12.2136]
_cell_length_b [5.2755]
_cell_length_c [9.2364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(ErTl)2]
_chemical_formula_sum '[Nd4 Er8 Tl8]'
_cell_volume [576.1121]
_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  0.0672  0.0000  0.3519  1.0
  Er  Er1  4  0.0725  0.5000  0.8628  1.0
  Er  Er2  4  0.2494  0.5000  0.2458  1.0
  Tl  Tl3  4  0.1332  0.5000  0.5564  1.0
  Tl  Tl4  4  0.1372  0.0000  0.0390  1.0
]