data_[Na6Tb2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9606]
_cell_length_b [7.3461]
_cell_length_c [12.3551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3TbCl6]
_chemical_formula_sum '[Na6 Tb2 Cl12]'
_cell_volume [528.3901]
_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  4  0.2909  0.5732  0.2671  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0953  0.5722  0.7374  1.0
  Cl  Cl4  4  0.2581  0.1987  0.5859  1.0
  Cl  Cl5  4  0.3759  0.6816  0.5614  1.0
]