data_[Li12V2Fe10O24]
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 [C2/m]
_cell_length_a [5.0818]
_cell_length_b [8.8056]
_cell_length_c [10.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6VFe5O12]
_chemical_formula_sum '[Li12 V2 Fe10 O24]'
_cell_volume [447.4203]
_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  8  0.1228  0.1682  0.7581  1
  Li  Li1  4  0.1078  0.5000  0.7503  1
  V  V2  2  0.0000  0.0000  0.0000  1
  Fe  Fe3  4  0.0000  0.1668  0.5000  1
  Fe  Fe4  4  0.0000  0.3346  0.0000  1
  Fe  Fe5  2  0.0000  0.5000  0.5000  1
  O  O6  8  0.1239  0.3332  0.3904  1
  O  O7  8  0.1932  0.1664  0.1138  1
  O  O8  4  0.1404  0.0000  0.3934  1
  O  O9  4  0.1930  0.5000  0.1158  1
]