data_[Nd4Y16Tl2]
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 [19.5861]
_cell_length_b [5.6040]
_cell_length_c [6.5251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y8Tl]
_chemical_formula_sum '[Nd4 Y16 Tl2]'
_cell_volume [713.4730]
_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  0.2437  0.0000  0.3350  1
  Y  Y1  4  0.0438  0.0000  0.2677  1
  Y  Y2  4  0.0777  0.5000  0.6007  1
  Y  Y3  4  0.1530  0.0000  0.8087  1
  Y  Y4  4  0.1603  0.5000  0.1243  1
  Tl  Tl5  2  0.0000  0.5000  0.0000  1
]