data_[Nd4Dy12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5065]
_cell_length_b [5.4109]
_cell_length_c [9.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdDy3Tl2]
_chemical_formula_sum '[Nd4 Dy12 Tl8]'
_cell_volume [725.5624]
_cell_formula_units_Z [4]
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  0.1310  0.0000  0.1721  1
  Dy  Dy1  4  0.0599  0.0000  0.7147  1
  Dy  Dy2  4  0.1159  0.5000  0.5412  1
  Dy  Dy3  4  0.1935  0.5000  0.9919  1
  Tl  Tl4  4  0.0181  0.5000  0.1718  1
  Tl  Tl5  4  0.2225  0.0000  0.5939  1
]