data_[Mn2Cr4I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.3572]
_cell_length_b [6.6183]
_cell_length_c [6.2336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [MnCr2IO8]
_chemical_formula_sum '[Mn2 Cr4 I2 O16]'
_cell_volume [262.2707]
_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  0.5000  1.0
  Cr  Cr1  4  0.0000  0.5000  0.2561  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.1932  0.2281  1.0
  O  O4  4  0.1971  0.5000  0.5000  1.0
  O  O5  4  0.2006  0.5000  0.0000  1.0
]