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 [Pm]
_cell_length_a [3.6868]
_cell_length_b [18.8177]
_cell_length_c [15.1372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnI3]
_chemical_formula_sum '[Mn2 I6]'
_cell_volume [1046.1818]
_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  1  0.3872  0.5000  0.7054  1
  Mn  Mn1  1  0.5917  0.5000  0.1957  1
  I  I2  2  0.1069  0.3992  0.2382  1
  I  I3  2  0.9028  0.3979  0.7493  1
  I  I4  1  0.3244  0.5000  0.5286  1
  I  I5  1  0.5275  0.5000  0.0189  1
]