data_[Mn8Cd6O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1752]
_cell_length_b [9.1873]
_cell_length_c [6.4366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn4Cd3O8]
_chemical_formula_sum '[Mn8 Cd6 O16]'
_cell_volume [387.6833]
_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  0.2500  0.2500  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd3  4  0.2500  0.2500  0.5000  1.0
  Cd  Cd4  2  0.0000  0.5000  0.5000  1.0
  O  O5  4  0.0000  0.2145  0.0000  1.0
  O  O6  4  0.0000  0.2430  0.5000  1.0
  O  O7  4  0.2066  0.0000  0.4260  1.0
  O  O8  4  0.2109  0.0000  0.9884  1.0
]