data_[Ca6Mn2Cd4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [5.8705]
_cell_length_b [10.1889]
_cell_length_c [5.7438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3MnCd2O6]
_chemical_formula_sum '[Ca6 Mn2 Cd4 O12]'
_cell_volume [323.3596]
_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
[
  Ca  Ca0  4  0.0000  0.1670  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  4  0.0000  0.3333  0.0000  1.0
  O  O4  8  0.2454  0.1615  0.2500  1.0
  O  O5  4  0.2386  0.0000  0.7534  1.0
]