data_[Cs4Tm2I10]
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 [I4mm]
_cell_length_a [9.0702]
_cell_length_b [9.0702]
_cell_length_c [11.0219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2TmI5]
_chemical_formula_sum '[Cs4 Tm2 I10]'
_cell_volume [906.7478]
_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  0.0000  0.5000  0.2597  1.0
  Tm  Tm1  2  0.0000  0.0000  0.9681  1.0
  I  I2  8  0.2274  0.2274  0.0190  1.0
  I  I3  2  0.0000  0.0000  0.7134  1.0
]