data_[Mn4Cr2I12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3283]
_cell_length_b [4.0739]
_cell_length_c [22.5785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2CrI6]
_chemical_formula_sum '[Mn4 Cr2 I12]'
_cell_volume [673.6670]
_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  4  0.1648  0.5000  0.3330  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.0091  0.0000  0.7402  1.0
  I  I3  4  0.1389  0.5000  0.0720  1.0
  I  I4  4  0.1614  0.5000  0.5937  1.0
]