data_[Nd16Y4Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4742]
_cell_length_b [5.0612]
_cell_length_c [8.1627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Y2Tl]
_chemical_formula_sum '[Nd16 Y4 Tl2]'
_cell_volume [735.3683]
_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  0.0446  0.0000  0.7252  1.0
  Nd  Nd1  4  0.0903  0.5000  0.4416  1.0
  Nd  Nd2  4  0.1363  0.0000  0.1790  1.0
  Nd  Nd3  4  0.1790  0.5000  0.9081  1.0
  Y  Y4  4  0.2246  0.0000  0.6338  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]