data_[Li12V4Fe12O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cc]
_cell_length_a [5.8791]
_cell_length_b [10.2359]
_cell_length_c [9.6087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li3VFe3O8]
_chemical_formula_sum '[Li12 V4 Fe12 O32]'
_cell_volume [578.2269]
_cell_formula_units_Z [4]
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  4  0.2388  0.4132  0.0580  1
  Li  Li1  4  0.2601  0.0884  0.5566  1
  Li  Li2  4  0.4964  0.3246  0.5572  1
  V  V3  4  0.4962  0.1653  0.0102  1
  Fe  Fe4  4  0.2489  0.4171  0.7886  1
  Fe  Fe5  4  0.2519  0.0854  0.2857  1
  Fe  Fe6  4  0.4966  0.3309  0.2866  1
  O  O7  4  0.0005  0.3341  0.9040  1
  O  O8  4  0.0005  0.4817  0.6534  1
  O  O9  4  0.0006  0.0006  0.6777  1
  O  O10  4  0.0010  0.1650  0.4084  1
  O  O11  4  0.2174  0.2611  0.6514  1
  O  O12  4  0.2540  0.4164  0.4092  1
  O  O13  4  0.2590  0.0870  0.9086  1
  O  O14  4  0.2758  0.2411  0.1530  1
]