data_[Nd16Tl4Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4259]
_cell_length_b [5.2475]
_cell_length_c [6.9207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Tl2Cu]
_chemical_formula_sum '[Nd16 Tl4 Cu2]'
_cell_volume [681.9211]
_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  0.0134  0.0000  0.7785  1.0
  Nd  Nd1  4  0.0904  0.5000  0.4629  1.0
  Nd  Nd2  4  0.1501  0.5000  0.9851  1.0
  Nd  Nd3  4  0.2089  0.0000  0.3085  1.0
  Tl  Tl4  4  0.1812  0.0000  0.7500  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]