data_[Rb6Tm2I12]
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 [P2_1/c]
_cell_length_a [8.6893]
_cell_length_b [9.2890]
_cell_length_c [15.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3TmI6]
_chemical_formula_sum '[Rb6 Tm2 I12]'
_cell_volume [1003.7880]
_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
[
  Rb  Rb0  4  0.2897  0.5828  0.2559  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Tm  Tm2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.0946  0.5488  0.7241  1.0
  I  I4  4  0.2326  0.2277  0.5730  1.0
  I  I5  4  0.3357  0.6738  0.5552  1.0
]