data_[Cs6Tm2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0028]
_cell_length_b [9.5415]
_cell_length_c [15.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3TmI6]
_chemical_formula_sum '[Cs6 Tm2 I12]'
_cell_volume [1103.6005]
_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
[
  Cs  Cs0  4  0.2820  0.0760  0.7524  1
  Cs  Cs1  2  0.5000  0.0000  0.5000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  I  I3  4  0.1016  0.0416  0.2183  1
  I  I4  4  0.2272  0.7361  0.0667  1
  I  I5  4  0.3216  0.1720  0.0510  1
]