data_[Nd4Tl4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0180]
_cell_length_b [7.6176]
_cell_length_c [8.7336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NdTlCd]
_chemical_formula_sum '[Nd4 Tl4 Cd4]'
_cell_volume [333.8466]
_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  2  0.0000  0.0000  0.6418  1.0
  Nd  Nd1  2  0.0000  0.5000  0.6493  1.0
  Tl  Tl2  4  0.0000  0.2712  0.9791  1.0
  Cd  Cd3  4  0.0000  0.2925  0.3152  1.0
]