data_[Nd8Tm8Tl2]
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 [I4/mmm]
_cell_length_a [10.7815]
_cell_length_b [10.7815]
_cell_length_c [4.8924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd4Tm4Tl]
_chemical_formula_sum '[Nd8 Tm8 Tl2]'
_cell_volume [568.7010]
_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  0.1615  0.1615  0.5000  1.0
  Tm  Tm1  8  0.0000  0.3388  0.0000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
]