data_[Nd12Y6Tl2]
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 [P2_1/m]
_cell_length_a [12.4833]
_cell_length_b [3.6342]
_cell_length_c [14.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6Y3Tl]
_chemical_formula_sum '[Nd12 Y6 Tl2]'
_cell_volume [678.5537]
_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  0.1125  0.2500  0.0038  1
  Nd  Nd1  2  0.1892  0.2500  0.3924  1
  Nd  Nd2  2  0.2051  0.7500  0.1878  1
  Nd  Nd3  2  0.3010  0.2500  0.7487  1
  Nd  Nd4  2  0.3802  0.7500  0.5451  1
  Nd  Nd5  2  0.4363  0.2500  0.1073  1
  Y  Y6  2  0.0528  0.7500  0.8035  1
  Y  Y7  2  0.1009  0.7500  0.5821  1
  Y  Y8  2  0.4267  0.7500  0.3178  1
  Tl  Tl9  2  0.3098  0.7500  0.9404  1
]