data_[Tb2Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9415]
_cell_length_b [15.0323]
_cell_length_c [7.9017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tb(TlCl3)2]
_chemical_formula_sum '[Tb2 Tl4 Cl12]'
_cell_volume [468.1716]
_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
[
  Tb  Tb0  2  0.5000  0.0000  0.9741  1
  Tl  Tl1  4  0.0000  0.1679  0.4950  1
  Cl  Cl2  4  0.0000  0.1167  0.8844  1
  Cl  Cl3  4  0.5000  0.2082  0.2129  1
  Cl  Cl4  2  0.0000  0.0000  0.2263  1
  Cl  Cl5  2  0.5000  0.0000  0.6148  1
]