data_[Mn2Cd2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.7223]
_cell_length_b [4.2219]
_cell_length_c [18.5044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnCdI4]
_chemical_formula_sum '[Mn2 Cd2 I8]'
_cell_volume [1150.1644]
_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  0.3778  0.2500  0.5015  1
  Cd  Cd1  2  0.1273  0.7500  0.5008  1
  I  I2  2  0.0417  0.2500  0.5947  1
  I  I3  2  0.2164  0.2500  0.4088  1
  I  I4  2  0.3004  0.7500  0.5915  1
  I  I5  2  0.4574  0.7500  0.4116  1
]