data_[Nd8Tl4Ag6]
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 [10.4365]
_cell_length_b [5.0826]
_cell_length_c [9.4447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Tl2Ag3]
_chemical_formula_sum '[Nd8 Tl4 Ag6]'
_cell_volume [484.6405]
_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  4  0.0637  0.0000  0.3475  1
  Nd  Nd1  4  0.1416  0.5000  0.8995  1
  Tl  Tl2  4  0.2310  0.5000  0.2657  1
  Ag  Ag3  4  0.1330  0.5000  0.5649  1
  Ag  Ag4  2  0.0000  0.0000  0.0000  1
]