# generated using pymatgen
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06539600
_cell_length_b   8.76788219
_cell_length_c   9.80324163
_cell_angle_alpha   98.37742636
_cell_angle_beta   94.92118992
_cell_angle_gamma   90.05600922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiCrO6
_chemical_formula_sum   'Li16 Ti4 Cr4 O24'
_cell_volume   429.11569088
_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  0.98765400  0.16531200  0.50006800  1
  Li  Li1  1  0.87501500  0.37541400  0.74986900  1
  Li  Li2  1  0.75077100  0.25146200  0.99860200  1
  Li  Li3  1  0.74198100  0.92018500  0.99902700  1
  Li  Li4  1  0.76065900  0.57686000  0.99833400  1
  Li  Li5  1  0.62503400  0.12277600  0.24964300  1
  Li  Li6  1  0.51053400  0.33247500  0.49992000  1
  Li  Li7  1  0.50017400  0.00234800  0.49845100  1
  Li  Li8  1  0.49150000  0.66447800  0.49804000  1
  Li  Li9  1  0.37530800  0.87452600  0.74960000  1
  Li  Li10  1  0.24593000  0.75116700  0.00097900  1
  Li  Li11  1  0.24294300  0.42228700  0.00110000  1
  Li  Li12  1  0.25703600  0.07760000  0.00060600  1
  Li  Li13  1  0.12458200  0.62265000  0.25025800  1
  Li  Li14  1  0.01110800  0.83366600  0.50206800  1
  Li  Li15  1  0.99502400  0.50245600  0.50147300  1
  Ti  Ti16  1  0.62605100  0.79326600  0.25025700  1
  Ti  Ti17  1  0.37975000  0.54266800  0.75373600  1
  Ti  Ti18  1  0.36888700  0.20806500  0.74630700  1
  Ti  Ti19  1  0.12573900  0.29345300  0.25106800  1
  Cr  Cr20  1  0.88136200  0.71117900  0.75111400  1
  Cr  Cr21  1  0.86767000  0.03914700  0.74914800  1
  Cr  Cr22  1  0.62426500  0.45680400  0.24901600  1
  Cr  Cr23  1  0.12443000  0.95690000  0.24977200  1
  O  O24  1  0.96521600  0.10379500  0.13861200  1
  O  O25  1  0.93557800  0.78817100  0.13800000  1
  O  O26  1  0.93191800  0.42677200  0.13331000  1
  O  O27  1  0.81808500  0.96513100  0.36433000  1
  O  O28  1  0.81625500  0.32580900  0.36430400  1
  O  O29  1  0.78570900  0.64064200  0.36139000  1
  O  O30  1  0.71211100  0.86272800  0.63862600  1
  O  O31  1  0.68090100  0.53863000  0.63851800  1
  O  O32  1  0.67378700  0.17873900  0.63376200  1
  O  O33  1  0.46457300  0.60402100  0.13820500  1
  O  O34  1  0.57614900  0.71755900  0.86233000  1
  O  O35  1  0.58094700  0.07077800  0.86473200  1
  O  O36  1  0.43093100  0.92676000  0.13309200  1
  O  O37  1  0.43530900  0.28778100  0.13782900  1
  O  O38  1  0.53543000  0.39374000  0.86428500  1
  O  O39  1  0.31729800  0.82581200  0.36470700  1
  O  O40  1  0.31853100  0.46555600  0.36438800  1
  O  O41  1  0.28598900  0.14065600  0.36181100  1
  O  O42  1  0.21394900  0.35691700  0.63543800  1
  O  O43  1  0.16962500  0.68004200  0.63538300  1
  O  O44  1  0.17417000  0.03250300  0.63831600  1
  O  O45  1  0.07613400  0.57186300  0.86647800  1
  O  O46  1  0.07028600  0.21134700  0.86220500  1
  O  O47  1  0.03771000  0.88709900  0.86150000  1
