data_[Nd6Sm8Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.5151]
_cell_length_b [9.5151]
_cell_length_c [6.5766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Nd6Sm8Tl]
_chemical_formula_sum '[Nd6 Sm8 Tl1]'
_cell_volume [515.6524]
_cell_formula_units_Z [1]
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  6  0.0920  0.6434  0.3254  1
  Sm  Sm1  6  0.0399  0.7741  0.8169  1
  Sm  Sm2  2  0.3333  0.6667  0.8535  1
  Tl  Tl3  1  0.0000  0.0000  0.5000  1
]