data_[Mn2I4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4674]
_cell_length_b [7.5263]
_cell_length_c [6.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn(IO2)2]
_chemical_formula_sum '[Mn2 I4 O8]'
_cell_volume [270.0048]
_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  0.0000  0.0000  0.0000  1
  I  I1  4  0.3684  0.0320  0.6389  1
  O  O2  4  0.0901  0.0785  0.3194  1
  O  O3  4  0.3131  0.5320  0.5693  1
]