data_[Li4Tb4Tl4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2886]
_cell_length_b [12.7401]
_cell_length_c [10.5725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTbTlBr5]
_chemical_formula_sum '[Li4 Tb4 Tl4 Br20]'
_cell_volume [1150.2782]
_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
[
  Li  Li0  4  0.0000  0.3086  0.2500  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.3576  0.7500  1.0
  Br  Br3  8  0.1149  0.1983  0.1126  1.0
  Br  Br4  8  0.1884  0.4341  0.4325  1.0
  Br  Br5  4  0.0000  0.0828  0.7500  1.0
]