data_[Nd10Tm2Tl16]
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 [I-4]
_cell_length_a [9.5594]
_cell_length_b [9.5594]
_cell_length_c [9.3039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd5TmTl8]
_chemical_formula_sum '[Nd10 Tm2 Tl16]'
_cell_volume [850.2161]
_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  8  0.1185  0.2418  0.1277  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Tm  Tm2  2  0.0000  0.5000  0.7500  1.0
  Tl  Tl3  8  0.0748  0.3342  0.4646  1.0
  Tl  Tl4  8  0.0872  0.1816  0.7882  1.0
]