data_[Cs1Tb1Ag1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6006]
_cell_length_b [7.7537]
_cell_length_c [8.3005]
_cell_angle_alpha [93.4775]
_cell_angle_beta [97.3139]
_cell_angle_gamma [111.0659]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsTbAgI6]
_chemical_formula_sum '[Cs1 Tb1 Ag1 I6]'
_cell_volume [449.7592]
_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  0.9319  0.0335  0.0120  1.0
  Tb  Tb1  1  0.3339  0.6814  0.5201  1.0
  Ag  Ag2  1  0.7172  0.3749  0.4585  1.0
  I  I3  1  0.0409  0.3513  0.6510  1.0
  I  I4  1  0.3558  0.9611  0.7841  1.0
  I  I5  1  0.4145  0.4233  0.2568  1.0
  I  I6  1  0.5827  0.9839  0.3345  1.0
  I  I7  1  0.6303  0.5727  0.7265  1.0
  I  I8  1  0.9927  0.6177  0.2564  1.0
]