data_[Nd4Tl1Cd3]
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 [Pmm2]
_cell_length_a [3.7241]
_cell_length_b [5.0184]
_cell_length_c [12.6362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4TlCd3]
_chemical_formula_sum '[Nd4 Tl1 Cd3]'
_cell_volume [236.1570]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1580  1.0
  Nd  Nd1  1  0.0000  0.5000  0.8412  1.0
  Nd  Nd2  1  0.5000  0.0000  0.6570  1.0
  Nd  Nd3  1  0.5000  0.5000  0.3452  1.0
  Tl  Tl4  1  0.5000  0.5000  0.0736  1.0
  Cd  Cd5  1  0.0000  0.0000  0.4296  1.0
  Cd  Cd6  1  0.0000  0.5000  0.5702  1.0
  Cd  Cd7  1  0.5000  0.0000  0.9252  1.0
]