data_[Nd8Tl4Ag8]
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 [C2/m]
_cell_length_a [11.0179]
_cell_length_b [4.8173]
_cell_length_c [10.2413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2TlAg2]
_chemical_formula_sum '[Nd8 Tl4 Ag8]'
_cell_volume [520.9453]
_cell_formula_units_Z [4]
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  0.0922  0.0000  0.3832  1.0
  Nd  Nd1  4  0.1658  0.0000  0.0588  1.0
  Tl  Tl2  4  0.2314  0.0000  0.7328  1.0
  Ag  Ag3  4  0.0172  0.5000  0.8593  1.0
  Ag  Ag4  4  0.1087  0.5000  0.6110  1.0
]