data_[Nd8Tl16Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8492]
_cell_length_b [10.2998]
_cell_length_c [17.6792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [NdTl2Ag]
_chemical_formula_sum '[Nd8 Tl16 Ag8]'
_cell_volume [882.9954]
_cell_formula_units_Z [8]
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  4  0.0000  0.3028  0.0000  1
  Nd  Nd1  4  0.0000  0.5000  0.2058  1
  Tl  Tl2  8  0.0000  0.1525  0.1922  1
  Tl  Tl3  4  0.0000  0.0000  0.4195  1
  Tl  Tl4  4  0.0000  0.5000  0.4164  1
  Ag  Ag5  8  0.0000  0.2409  0.3561  1
]