data_[Nd12Tm2Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1123]
_cell_length_b [5.5159]
_cell_length_c [12.0579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6TmTl3]
_chemical_formula_sum '[Nd12 Tm2 Tl6]'
_cell_volume [635.5898]
_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  0.0573  0.2500  0.9190  1.0
  Nd  Nd1  2  0.1326  0.7500  0.7329  1.0
  Nd  Nd2  2  0.1982  0.2500  0.5304  1.0
  Nd  Nd3  2  0.2039  0.2500  0.2386  1.0
  Nd  Nd4  2  0.4363  0.7500  0.3546  1.0
  Nd  Nd5  2  0.4687  0.2500  0.0980  1.0
  Tm  Tm6  2  0.0979  0.7500  0.3807  1.0
  Tl  Tl7  2  0.2631  0.7500  0.0550  1.0
  Tl  Tl8  2  0.3289  0.2500  0.8133  1.0
  Tl  Tl9  2  0.3909  0.7500  0.6126  1.0
]