data_[Nd4Er2Tl4Cd8]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6411]
_cell_length_b [13.1172]
_cell_length_c [7.7216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd2Er(TlCd2)2]
_chemical_formula_sum '[Nd4 Er2 Tl4 Cd8]'
_cell_volume [470.0744]
_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  4  0.0000  0.2114  0.7855  1
  Er  Er1  2  0.0000  0.0000  0.4224  1
  Tl  Tl2  4  0.5000  0.1629  0.4977  1
  Cd  Cd3  4  0.5000  0.1201  0.1190  1
  Cd  Cd4  2  0.0000  0.0000  0.0092  1
  Cd  Cd5  2  0.5000  0.0000  0.7639  1
]