data_[Cs1Na2Mn1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.8631]
_cell_length_b [8.0427]
_cell_length_c [8.1946]
_cell_angle_alpha [74.4030]
_cell_angle_beta [66.1556]
_cell_angle_gamma [75.6175]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsNa2MnI6]
_chemical_formula_sum '[Cs1 Na2 Mn1 I6]'
_cell_volume [450.7636]
_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
[
  Cs  Cs0  1  0.7526  0.8300  0.6753  1.0
  Na  Na1  1  0.0395  0.9516  0.0356  1.0
  Na  Na2  1  0.4005  0.4820  0.5872  1.0
  Mn  Mn3  1  0.9395  0.4145  0.2790  1.0
  I  I4  1  0.1755  0.5985  0.2915  1.0
  I  I5  1  0.2305  0.2608  0.0186  1.0
  I  I6  1  0.2546  0.8521  0.6677  1.0
  I  I7  1  0.7094  0.2229  0.2707  1.0
  I  I8  1  0.7152  0.7156  0.1865  1.0
  I  I9  1  0.7978  0.3336  0.6496  1.0
]