data_[Mn2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4177]
_cell_length_b [3.6501]
_cell_length_c [11.5357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnI3]
_chemical_formula_sum '[Mn2 I6]'
_cell_volume [349.6671]
_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
[
  Mn  Mn0  2  0.3079  0.2500  0.7247  1.0
  I  I1  2  0.1148  0.7500  0.8251  1.0
  I  I2  2  0.2561  0.7500  0.5377  1.0
  I  I3  2  0.4489  0.2500  0.1872  1.0
]