data_[Rb2Mn2Pd2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5696]
_cell_length_b [12.4670]
_cell_length_c [8.2792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbMnPdI6]
_chemical_formula_sum '[Rb2 Mn2 Pd2 I12]'
_cell_volume [780.6348]
_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  0.0046  0.0000  1.0
  Mn  Mn1  2  0.0000  0.6747  0.5000  1.0
  Pd  Pd2  2  0.0000  0.3337  0.5000  1.0
  I  I3  4  0.1265  0.4942  0.6904  1.0
  I  I4  4  0.1833  0.1889  0.6875  1.0
  I  I5  4  0.1921  0.8100  0.7128  1.0
]