data_[Nb3V9Cr6P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6499]
_cell_length_b [8.6499]
_cell_length_c [21.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NbV3Cr2(PO4)6]
_chemical_formula_sum '[Nb3 V9 Cr6 P18 O72]'
_cell_volume [1374.5990]
_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
[
  Nb  Nb0  3  0.0000  0.0000  0.1430  1
  V  V1  3  0.0000  0.0000  0.3565  1
  V  V2  3  0.0000  0.0000  0.6430  1
  V  V3  3  0.0000  0.0000  0.8555  1
  Cr  Cr4  3  0.0000  0.0000  0.4996  1
  Cr  Cr5  3  0.0000  0.0000  0.9967  1
  P  P6  9  0.0004  0.7032  0.2524  1
  P  P7  9  0.0484  0.3750  0.4160  1
  O  O8  9  0.0016  0.1929  0.6896  1
  O  O9  9  0.0171  0.8353  0.9211  1
  O  O10  9  0.0204  0.1827  0.4216  1
  O  O11  9  0.1396  0.6691  0.9771  1
  O  O12  9  0.1398  0.6672  0.8584  1
  O  O13  9  0.1422  0.4724  0.4763  1
  O  O14  9  0.1638  0.4797  0.7448  1
  O  O15  9  0.1702  0.6864  0.2446  1
]