data_[Na2Nd2Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4534]
_cell_length_b [7.8335]
_cell_length_c [12.9815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaNd(TlCl3)2]
_chemical_formula_sum '[Na2 Nd2 Tl4 Cl12]'
_cell_volume [626.3071]
_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
[
  Na  Na0  2  0.5000  0.0000  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2753  0.0691  0.2535  1.0
  Cl  Cl3  4  0.1445  0.0291  0.7468  1.0
  Cl  Cl4  4  0.2436  0.7077  0.5527  1.0
  Cl  Cl5  4  0.3481  0.1937  0.5483  1.0
]