data_[Nd6Dy12Tl2]
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 [P2_1/m]
_cell_length_a [12.8531]
_cell_length_b [3.5281]
_cell_length_c [14.4211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3Dy6Tl]
_chemical_formula_sum '[Nd6 Dy12 Tl2]'
_cell_volume [641.5156]
_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  2  0.0759  0.2500  0.1015  1
  Nd  Nd1  2  0.3673  0.7500  0.4945  1
  Nd  Nd2  2  0.4215  0.2500  0.9019  1
  Dy  Dy3  2  0.1072  0.2500  0.4579  1
  Dy  Dy4  2  0.1904  0.7500  0.9215  1
  Dy  Dy5  2  0.2274  0.7500  0.2836  1
  Dy  Dy6  2  0.2417  0.7500  0.6872  1
  Dy  Dy7  2  0.3432  0.2500  0.1173  1
  Dy  Dy8  2  0.4876  0.2500  0.6904  1
  Tl  Tl9  2  0.0357  0.2500  0.7272  1
]