data_[Ce6Nd3Tl6Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [R-3m]
_cell_length_a [4.8377]
_cell_length_b [4.8377]
_cell_length_c [27.1762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Nd(TlAg)2]
_chemical_formula_sum '[Ce6 Nd3 Tl6 Ag6]'
_cell_volume [550.8072]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  6  0.0000  0.0000  0.1442  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  6  0.0000  0.0000  0.2681  1.0
  Ag  Ag3  6  0.0000  0.0000  0.4311  1.0
]