data_[Rb4Te4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7820]
_cell_length_b [13.3880]
_cell_length_c [8.3447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Te2I7]
_chemical_formula_sum '[Rb4 Te4 I14]'
_cell_volume [1312.2314]
_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  0.0000  0.2913  0.0000  1
  Te  Te1  4  0.2490  0.5000  0.5400  1
  I  I2  8  0.2448  0.1686  0.2146  1
  I  I3  4  0.2022  0.5000  0.1953  1
  I  I4  2  0.0000  0.0000  0.5000  1
]