# generated using pymatgen
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07038000
_cell_length_b   8.78286222
_cell_length_c   9.80636223
_cell_angle_alpha   98.55692439
_cell_angle_beta   94.79276919
_cell_angle_gamma   90.17339725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiCrO6
_chemical_formula_sum   'Li16 Ti4 Cr4 O24'
_cell_volume   430.27727568
_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  0.99223500  0.16926300  0.49713500  1
  Li  Li1  1  0.87351100  0.37526400  0.75014200  1
  Li  Li2  1  0.75364300  0.25130300  0.00044500  1
  Li  Li3  1  0.74276700  0.92046500  0.00024500  1
  Li  Li4  1  0.75236600  0.57787600  0.99858500  1
  Li  Li5  1  0.62263600  0.12572300  0.25133100  1
  Li  Li6  1  0.50712200  0.33155300  0.49977300  1
  Li  Li7  1  0.49642500  0.00139000  0.49994800  1
  Li  Li8  1  0.48959600  0.66870400  0.50074300  1
  Li  Li9  1  0.37410900  0.87305000  0.74965600  1
  Li  Li10  1  0.25588200  0.74848800  0.00006000  1
  Li  Li11  1  0.23907000  0.41899600  0.00113500  1
  Li  Li12  1  0.25814800  0.08196300  0.00145500  1
  Li  Li13  1  0.12430100  0.62375900  0.24956300  1
  Li  Li14  1  0.00676100  0.82952900  0.49877700  1
  Li  Li15  1  0.00913900  0.49774400  0.49851000  1
  Ti  Ti16  1  0.87167900  0.70773100  0.74652800  1
  Ti  Ti17  1  0.88056600  0.04145600  0.74843800  1
  Ti  Ti18  1  0.62230800  0.46131900  0.24727900  1
  Ti  Ti19  1  0.38090200  0.21097400  0.75479400  1
  Cr  Cr20  1  0.62885500  0.79704800  0.25097500  1
  Cr  Cr21  1  0.37026800  0.54031600  0.75017800  1
  Cr  Cr22  1  0.12919600  0.95306200  0.25149400  1
  Cr  Cr23  1  0.12147000  0.28809000  0.24961500  1
  O  O24  1  0.96768300  0.10825300  0.14068000  1
  O  O25  1  0.93353300  0.79122400  0.13754400  1
  O  O26  1  0.92513600  0.42826700  0.13375000  1
  O  O27  1  0.81587000  0.96195400  0.36206800  1
  O  O28  1  0.82987200  0.32172500  0.36437700  1
  O  O29  1  0.78351400  0.64684800  0.36231500  1
  O  O30  1  0.71144400  0.85558700  0.63580600  1
  O  O31  1  0.67365600  0.53254200  0.63844000  1
  O  O32  1  0.67694900  0.17762700  0.63427300  1
  O  O33  1  0.46417800  0.60958700  0.13776600  1
  O  O34  1  0.56917900  0.71317300  0.86177100  1
  O  O35  1  0.57115100  0.07322200  0.86647500  1
  O  O36  1  0.43516900  0.92375300  0.13646400  1
  O  O37  1  0.42490400  0.28335000  0.13824500  1
  O  O38  1  0.54141600  0.39300300  0.86455900  1
  O  O39  1  0.31693900  0.82578400  0.36427200  1
  O  O40  1  0.31907600  0.46247100  0.36212700  1
  O  O41  1  0.28503500  0.13908100  0.36196500  1
  O  O42  1  0.21402500  0.36194100  0.63883500  1
  O  O43  1  0.17448000  0.67893400  0.63361900  1
  O  O44  1  0.17679600  0.03541300  0.63612100  1
  O  O45  1  0.08085100  0.57108600  0.86420100  1
  O  O46  1  0.07093300  0.21628200  0.86379500  1
  O  O47  1  0.03525400  0.89382500  0.86373300  1
