data_[Rb1Na2Mn1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7132]
_cell_length_b [7.9678]
_cell_length_c [7.9868]
_cell_angle_alpha [71.3869]
_cell_angle_beta [68.1709]
_cell_angle_gamma [74.9936]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbNa2MnI6]
_chemical_formula_sum '[Rb1 Na2 Mn1 I6]'
_cell_volume [426.2992]
_cell_formula_units_Z [1]
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  0.7720  0.8142  0.6614  1.0
  Na  Na1  1  0.0250  0.9777  0.0092  1.0
  Na  Na2  1  0.3995  0.4739  0.5979  1.0
  Mn  Mn3  1  0.9354  0.4152  0.2841  1.0
  I  I4  1  0.1679  0.6074  0.2950  1.0
  I  I5  1  0.2283  0.2553  0.0400  1.0
  I  I6  1  0.2732  0.8521  0.6613  1.0
  I  I7  1  0.7024  0.2207  0.2791  1.0
  I  I8  1  0.7093  0.7240  0.1664  1.0
  I  I9  1  0.8021  0.3212  0.6671  1.0
]