data_[Li3V4Fe1O12]
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 [P1]
_cell_length_a [5.0482]
_cell_length_b [5.3525]
_cell_length_c [7.4146]
_cell_angle_alpha [95.3186]
_cell_angle_beta [90.5630]
_cell_angle_gamma [90.2297]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3V4FeO12]
_chemical_formula_sum '[Li3 V4 Fe1 O12]'
_cell_volume [199.4718]
_cell_formula_units_Z [1]
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  1  0.0044  0.5677  0.2137  1.0
  Li  Li1  1  0.4957  0.0670  0.7149  1.0
  Li  Li2  1  0.5079  0.0696  0.2123  1.0
  V  V3  1  0.0073  0.0105  0.9952  1.0
  V  V4  1  0.4885  0.4907  0.4983  1.0
  V  V5  1  0.5105  0.5059  0.0099  1.0
  V  V6  1  0.9962  0.9946  0.4820  1.0
  Fe  Fe7  1  0.9983  0.5805  0.7118  1.0
  O  O8  1  0.1243  0.9651  0.2651  1.0
  O  O9  1  0.1695  0.6546  0.9529  1.0
  O  O10  1  0.1814  0.2799  0.5880  1.0
  O  O11  1  0.2884  0.7808  0.5882  1.0
  O  O12  1  0.3085  0.1570  0.9599  1.0
  O  O13  1  0.3856  0.4623  0.2681  1.0
  O  O14  1  0.6342  0.4599  0.7568  1.0
  O  O15  1  0.6911  0.7735  0.0808  1.0
  O  O16  1  0.6971  0.1493  0.4538  1.0
  O  O17  1  0.8112  0.2676  0.0767  1.0
  O  O18  1  0.8261  0.6654  0.4683  1.0
  O  O19  1  0.8737  0.9574  0.7737  1.0
]