# generated using pymatgen
data_Li3V3(FeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23257500
_cell_length_b   8.85941000
_cell_length_c   15.14971018
_cell_angle_alpha   55.50525585
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3V3(FeO6)2
_chemical_formula_sum   'Li12 V12 Fe8 O48'
_cell_volume   1021.29936638
_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  1  0.91005300  0.37312500  0.69825600  1
  Li  Li1  1  0.49324800  0.71934800  0.34448000  1
  Li  Li2  1  0.22353800  0.00053200  0.17952500  1
  Li  Li3  1  0.72353800  0.99946800  0.32047500  1
  Li  Li4  1  0.41005300  0.62687500  0.80174400  1
  Li  Li5  1  0.99324800  0.28065200  0.15552000  1
  Li  Li6  1  0.00675200  0.71934800  0.84448000  1
  Li  Li7  1  0.58994700  0.37312500  0.19825600  1
  Li  Li8  1  0.27646200  0.00053200  0.67952500  1
  Li  Li9  1  0.77646200  0.99946800  0.82047500  1
  Li  Li10  1  0.50675200  0.28065200  0.65552000  1
  Li  Li11  1  0.08994700  0.62687500  0.30174400  1
  V  V12  1  0.75305600  0.54722400  0.49120000  1
  V  V13  1  0.61966200  0.26459000  0.85075300  1
  V  V14  1  0.88387000  0.96987600  0.14283400  1
  V  V15  1  0.11966200  0.73541000  0.64924700  1
  V  V16  1  0.38387000  0.03012400  0.35716600  1
  V  V17  1  0.25305600  0.45277600  0.00880000  1
  V  V18  1  0.74694400  0.54722400  0.99120000  1
  V  V19  1  0.61613000  0.96987600  0.64283400  1
  V  V20  1  0.88033800  0.26459000  0.35075300  1
  V  V21  1  0.11613000  0.03012400  0.85716600  1
  V  V22  1  0.38033800  0.73541000  0.14924700  1
  V  V23  1  0.24694400  0.45277600  0.50880000  1
  Fe  Fe24  1  0.97756900  0.35468800  0.89237700  1
  Fe  Fe25  1  0.47756900  0.64531200  0.60762300  1
  Fe  Fe26  1  0.03144100  0.87132400  0.38338000  1
  Fe  Fe27  1  0.53144100  0.12867600  0.11662000  1
  Fe  Fe28  1  0.46855900  0.87132400  0.88338000  1
  Fe  Fe29  1  0.96855900  0.12867600  0.61662000  1
  Fe  Fe30  1  0.52243100  0.35468800  0.39237700  1
  Fe  Fe31  1  0.02243100  0.64531200  0.10762300  1
  O  O32  1  0.11686700  0.62217000  0.43879900  1
  O  O33  1  0.11173300  0.16251700  0.90695100  1
  O  O34  1  0.33995700  0.45825600  0.60700200  1
  O  O35  1  0.42382400  0.87983700  0.19250300  1
  O  O36  1  0.63231700  0.50463000  0.59232600  1
  O  O37  1  0.80914000  0.28558600  0.83737300  1
  O  O38  1  0.58006100  0.15607300  0.98365100  1
  O  O39  1  0.01359900  0.87841100  0.24590300  1
  O  O40  1  0.71516900  0.98382800  0.19123800  1
  O  O41  1  0.82813500  0.76603800  0.43016800  1
  O  O42  1  0.52573800  0.47099800  0.77333800  1
  O  O43  1  0.02573800  0.52900200  0.72666200  1
  O  O44  1  0.94579200  0.19522600  0.05221700  1
  O  O45  1  0.44579200  0.80477400  0.44778300  1
  O  O46  1  0.32813500  0.23396200  0.06983200  1
  O  O47  1  0.21516900  0.01617200  0.30876200  1
  O  O48  1  0.08006100  0.84392700  0.51634900  1
  O  O49  1  0.51359900  0.12158900  0.25409700  1
  O  O50  1  0.30914000  0.71441400  0.66262700  1
  O  O51  1  0.13231700  0.49537000  0.90767400  1
  O  O52  1  0.83995700  0.54174400  0.89299800  1
  O  O53  1  0.61173300  0.83748300  0.59304900  1
  O  O54  1  0.92382400  0.12016300  0.30749700  1
  O  O55  1  0.61686700  0.37783000  0.06120100  1
  O  O56  1  0.38313300  0.62217000  0.93879900  1
  O  O57  1  0.07617600  0.87983700  0.69250300  1
  O  O58  1  0.38826700  0.16251700  0.40695100  1
  O  O59  1  0.16004300  0.45825600  0.10700200  1
  O  O60  1  0.86768300  0.50463000  0.09232600  1
  O  O61  1  0.69086000  0.28558600  0.33737300  1
  O  O62  1  0.48640100  0.87841100  0.74590300  1
  O  O63  1  0.91993900  0.15607300  0.48365100  1
  O  O64  1  0.78483100  0.98382800  0.69123800  1
  O  O65  1  0.67186500  0.76603800  0.93016800  1
  O  O66  1  0.55420800  0.19522600  0.55221700  1
  O  O67  1  0.05420800  0.80477400  0.94778300  1
  O  O68  1  0.97426200  0.47099800  0.27333800  1
  O  O69  1  0.47426200  0.52900200  0.22666200  1
  O  O70  1  0.17186500  0.23396200  0.56983200  1
  O  O71  1  0.28483100  0.01617200  0.80876200  1
  O  O72  1  0.98640100  0.12158900  0.75409700  1
  O  O73  1  0.41993900  0.84392700  0.01634900  1
  O  O74  1  0.19086000  0.71441400  0.16262700  1
  O  O75  1  0.36768300  0.49537000  0.40767400  1
  O  O76  1  0.57617600  0.12016300  0.80749700  1
  O  O77  1  0.66004300  0.54174400  0.39299800  1
  O  O78  1  0.88826700  0.83748300  0.09304900  1
  O  O79  1  0.88313300  0.37783000  0.56120100  1
