data_[Cs1Li1Tb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2799]
_cell_length_b [8.8361]
_cell_length_c [7.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsLiTb2Br8]
_chemical_formula_sum '[Cs1 Li1 Tb2 Br8]'
_cell_volume [465.3648]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Tb  Tb2  2  0.5000  0.2385  0.5000  1
  Br  Br3  4  0.2697  0.2042  0.1589  1
  Br  Br4  2  0.2831  0.0000  0.6215  1
  Br  Br5  2  0.2946  0.5000  0.6065  1
]