data_[Nd4Tl5Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1337]
_cell_length_b [3.7440]
_cell_length_c [10.0045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Tl5Pd2]
_chemical_formula_sum '[Nd4 Tl5 Pd2]'
_cell_volume [304.0462]
_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  2  0.1934  0.5000  0.8478  1.0
  Nd  Nd1  2  0.2211  0.5000  0.4274  1.0
  Tl  Tl2  2  0.1521  0.0000  0.1369  1.0
  Tl  Tl3  2  0.4514  0.0000  0.6658  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd5  2  0.0742  0.0000  0.6327  1.0
]