data_[Cr6Fe9Sb3P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [R3]
_cell_length_a [8.6663]
_cell_length_b [8.6663]
_cell_length_c [20.9113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cr2Fe3Sb(PO4)6]
_chemical_formula_sum '[Cr6 Fe9 Sb3 P18 O72]'
_cell_volume [1360.1327]
_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
[
  Cr  Cr0  3  0.0000  0.0000  0.5018  1
  Cr  Cr1  3  0.0000  0.0000  0.9958  1
  Fe  Fe2  3  0.0000  0.0000  0.3555  1
  Fe  Fe3  3  0.0000  0.0000  0.6437  1
  Fe  Fe4  3  0.0000  0.0000  0.8536  1
  Sb  Sb5  3  0.0000  0.0000  0.1439  1
  P  P6  9  0.0031  0.7036  0.2504  1
  P  P7  9  0.0417  0.3690  0.4183  1
  O  O8  9  0.0063  0.2026  0.8125  1
  O  O9  9  0.0101  0.1751  0.4280  1
  O  O10  9  0.0113  0.8117  0.3087  1
  O  O11  9  0.0175  0.8335  0.9232  1
  O  O12  9  0.1287  0.4571  0.3567  1
  O  O13  9  0.1363  0.6713  0.8540  1
  O  O14  9  0.1666  0.4905  0.7448  1
  O  O15  9  0.1683  0.6827  0.2388  1
]