data_[Nd1Tm6Tl4]
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 [P-6m2]
_cell_length_a [10.0515]
_cell_length_b [10.0515]
_cell_length_c [3.6874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Nd(Tm3Tl2)2]
_chemical_formula_sum '[Nd1 Tm6 Tl4]'
_cell_volume [322.6351]
_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  1  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  3  0.1911  0.3822  0.5000  1.0
  Tm  Tm2  3  0.5384  0.0769  0.0000  1.0
  Tl  Tl3  3  0.3296  0.1648  0.5000  1.0
  Tl  Tl4  1  0.3333  0.6667  0.0000  1.0
]