data_[Mn2Cd1I1O6]
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 [P1]
_cell_length_a [5.4087]
_cell_length_b [5.6268]
_cell_length_c [5.7591]
_cell_angle_alpha [118.0430]
_cell_angle_beta [90.0373]
_cell_angle_gamma [118.5499]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2CdIO6]
_chemical_formula_sum '[Mn2 Cd1 I1 O6]'
_cell_volume [130.0154]
_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  0.0095  0.0110  0.0222  1
  Mn  Mn1  1  0.5310  0.0641  0.5921  1
  Cd  Cd2  1  0.8077  0.5783  0.3838  1
  I  I3  1  0.3222  0.6269  0.9583  1
  O  O4  1  0.1457  0.8688  0.2331  1
  O  O5  1  0.2123  0.8705  0.7618  1
  O  O6  1  0.3918  0.5429  0.2385  1
  O  O7  1  0.6069  0.5231  0.7642  1
  O  O8  1  0.7147  0.0711  0.2254  1
  O  O9  1  0.9198  0.1664  0.8053  1
]