data_[Li8Nb6V6Fe4O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5067]
_cell_length_b [6.1401]
_cell_length_c [9.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li4Nb3V3(FeO8)2]
_chemical_formula_sum '[Li8 Nb6 V6 Fe4 O32]'
_cell_volume [638.2906]
_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
[
  Li  Li0  2  0.0073  0.0000  0.0010  1
  Li  Li1  2  0.0124  0.0000  0.5059  1
  Li  Li2  2  0.1681  0.5000  0.0990  1
  Li  Li3  2  0.3345  0.0000  0.6144  1
  Nb  Nb4  4  0.4104  0.2469  0.2866  1
  Nb  Nb5  2  0.3305  0.5000  0.7857  1
  V  V6  4  0.0846  0.2516  0.7847  1
  V  V7  2  0.1731  0.0000  0.2903  1
  Fe  Fe8  2  0.1517  0.5000  0.5202  1
  Fe  Fe9  2  0.3264  0.0000  0.9969  1
  O  O10  4  0.0758  0.2505  0.4027  1
  O  O11  4  0.2409  0.2828  0.6570  1
  O  O12  4  0.2646  0.2339  0.1643  1
  O  O13  4  0.4183  0.2652  0.8942  1
  O  O14  2  0.0186  0.5000  0.6629  1
  O  O15  2  0.1588  0.0000  0.8898  1
  O  O16  2  0.1721  0.5000  0.8980  1
  O  O17  2  0.3383  0.5000  0.4002  1
  O  O18  2  0.3417  0.0000  0.4043  1
  O  O19  2  0.4841  0.0000  0.1727  1
  O  O20  2  0.4956  0.5000  0.6839  1
  O  O21  2  0.4973  0.5000  0.1880  1
]