data_[Na4Li4Tb4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1740]
_cell_length_b [12.1625]
_cell_length_c [9.7830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaLiTbCl5]
_chemical_formula_sum '[Na4 Li4 Tb4 Cl20]'
_cell_volume [897.8420]
_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
[
  Na  Na0  4  0.0000  0.3916  0.2500  1.0
  Li  Li1  4  0.0000  0.2981  0.7500  1.0
  Tb  Tb2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1526  0.1817  0.6428  1.0
  Cl  Cl4  8  0.1727  0.4265  0.9377  1.0
  Cl  Cl5  4  0.0000  0.0933  0.2500  1.0
]