data_[Rb2Te2Pd2I12]
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
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.3711]
_cell_length_b [12.4316]
_cell_length_c [7.7188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbTePdI6]
_chemical_formula_sum '[Rb2 Te2 Pd2 I12]'
_cell_volume [875.5966]
_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  2  0.0000  0.0428  0.0000  1.0
  Te  Te1  2  0.0000  0.6742  0.5000  1.0
  Pd  Pd2  2  0.0000  0.3288  0.5000  1.0
  I  I3  4  0.1203  0.4777  0.7327  1.0
  I  I4  4  0.1671  0.8165  0.7598  1.0
  I  I5  4  0.1756  0.1814  0.6769  1.0
]