data_[Cs1Li2Tb1Br6]
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 [P1]
_cell_length_a [7.4644]
_cell_length_b [7.8654]
_cell_length_c [7.9935]
_cell_angle_alpha [105.2687]
_cell_angle_beta [102.3349]
_cell_angle_gamma [117.3397]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLi2TbBr6]
_chemical_formula_sum '[Cs1 Li2 Tb1 Br6]'
_cell_volume [370.2495]
_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  0.8797  0.4436  0.3390  1.0
  Li  Li1  1  0.1398  0.0445  0.0721  1.0
  Li  Li2  1  0.4523  0.1659  0.6687  1.0
  Tb  Tb3  1  0.3235  0.6547  0.9823  1.0
  Br  Br4  1  0.2449  0.9054  0.8026  1.0
  Br  Br5  1  0.2789  0.3784  0.6560  1.0
  Br  Br6  1  0.3411  0.9516  0.3064  1.0
  Br  Br7  1  0.3686  0.4456  0.2039  1.0
  Br  Br8  1  0.7713  0.9224  0.0927  1.0
  Br  Br9  1  0.8615  0.4111  0.8610  1.0
]