data_[Ca2Mn4Cd6O12]
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 [14.4846]
_cell_length_b [3.3320]
_cell_length_c [6.6296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMn2Cd3O6]
_chemical_formula_sum '[Ca2 Mn4 Cd6 O12]'
_cell_volume [311.6037]
_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  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  4  0.1684  0.0000  0.3377  1.0
  Cd  Cd2  4  0.1679  0.0000  0.8307  1.0
  Cd  Cd3  2  0.0000  0.5000  0.5000  1.0
  O  O4  4  0.0041  0.0000  0.2515  1.0
  O  O5  4  0.1671  0.5000  0.0986  1.0
  O  O6  4  0.1722  0.5000  0.5707  1.0
]