data_[Rb2Te4I8]
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 [P1]
_cell_length_a [9.3936]
_cell_length_b [9.7682]
_cell_length_c [10.1565]
_cell_angle_alpha [106.8991]
_cell_angle_beta [115.4563]
_cell_angle_gamma [103.2488]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb(TeI2)2]
_chemical_formula_sum '[Rb2 Te4 I8]'
_cell_volume [734.3855]
_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  1  0.0036  0.0046  0.0255  1
  Rb  Rb1  1  0.7394  0.4826  0.2234  1
  Te  Te2  1  0.1642  0.5431  0.1278  1
  Te  Te3  1  0.4017  0.6167  0.4806  1
  Te  Te4  1  0.5401  0.4156  0.6235  1
  Te  Te5  1  0.8978  0.4300  0.7691  1
  I  I6  1  0.0782  0.6920  0.7484  1
  I  I7  1  0.1130  0.3343  0.4249  1
  I  I8  1  0.1280  0.8042  0.3295  1
  I  I9  1  0.2147  0.2940  0.9242  1
  I  I10  1  0.5013  0.2001  0.3251  1
  I  I11  1  0.6147  0.6650  0.9225  1
  I  I12  1  0.6538  0.1955  0.8092  1
  I  I13  1  0.6994  0.8223  0.5162  1
]