data_[Rb4Tm4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tm  1.2500  1.7500  1.0950
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2745]
_cell_length_b [4.3152]
_cell_length_c [18.1069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbTmI3]
_chemical_formula_sum '[Rb4 Tm4 I12]'
_cell_volume [802.8006]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.0612  0.7500  0.8277  1.0
  Tm  Tm1  4  0.1201  0.2500  0.5439  1.0
  I  I2  4  0.0527  0.2500  0.3777  1.0
  I  I3  4  0.1752  0.2500  0.9994  1.0
  I  I4  4  0.2378  0.7500  0.1962  1.0
]