data_[Mn1Cd2I1O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.7338]
_cell_length_b [5.7338]
_cell_length_c [4.3687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [MnCd2IO6]
_chemical_formula_sum '[Mn1 Cd2 I1 O6]'
_cell_volume [143.6272]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.6180  1
  Cd  Cd1  2  0.0000  0.5000  0.9937  1
  I  I2  1  0.0000  0.0000  0.6460  1
  O  O3  4  0.2485  0.2485  0.7025  1
  O  O4  1  0.0000  0.0000  0.2238  1
  O  O5  1  0.5000  0.5000  0.1615  1
]