data_[Cd3Fe6Sb6P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.2392]
_cell_length_b [8.2392]
_cell_length_c [22.0264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CdFe2Sb2(PO4)6]
_chemical_formula_sum '[Cd3 Fe6 Sb6 P18 O72]'
_cell_volume [1294.9105]
_cell_formula_units_Z [3]
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
[
  Cd  Cd0  3  0.0000  0.0000  0.0000  1
  Fe  Fe1  6  0.0000  0.0000  0.1459  1
  Sb  Sb2  6  0.0000  0.0000  0.3526  1
  P  P3  18  0.0042  0.2933  0.7501  1
  O  O4  18  0.0007  0.8000  0.1907  1
  O  O5  18  0.0419  0.2018  0.0827  1
  O  O6  18  0.0883  0.2288  0.6974  1
  O  O7  18  0.0957  0.2256  0.4035  1
]