data_[Cs4Tm2H2I12]
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
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7474]
_cell_length_b [13.5390]
_cell_length_c [8.1490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2TmHI6]
_chemical_formula_sum '[Cs4 Tm2 H2 I12]'
_cell_volume [896.8958]
_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  0.2705  0.5000  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.0000  0.2192  0.0000  1.0
  I  I4  4  0.1362  0.5000  0.8959  1.0
  I  I5  4  0.1693  0.0000  0.4311  1.0
]