# generated using pymatgen
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06572600
_cell_length_b   8.76887866
_cell_length_c   9.79793394
_cell_angle_alpha   98.65268181
_cell_angle_beta   94.72785289
_cell_angle_gamma   90.20596493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiCrO6
_chemical_formula_sum   'Li16 Ti4 Cr4 O24'
_cell_volume   428.75728460
_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  0.98849800  0.16682300  0.49913000  1
  Li  Li1  1  0.87541700  0.37586100  0.75008000  1
  Li  Li2  1  0.74864100  0.24951700  0.00029100  1
  Li  Li3  1  0.74739400  0.92185400  0.00097500  1
  Li  Li4  1  0.75341700  0.57794200  0.99868200  1
  Li  Li5  1  0.62716800  0.12595400  0.25005600  1
  Li  Li6  1  0.51176300  0.33240600  0.50044600  1
  Li  Li7  1  0.49467600  0.00057500  0.49975300  1
  Li  Li8  1  0.49309800  0.66830400  0.50049600  1
  Li  Li9  1  0.37515500  0.87404700  0.75000100  1
  Li  Li10  1  0.24437200  0.75101400  0.99961300  1
  Li  Li11  1  0.24727300  0.42096600  0.00080800  1
  Li  Li12  1  0.25735100  0.07955200  0.99956700  1
  Li  Li13  1  0.12705100  0.62595700  0.24997200  1
  Li  Li14  1  0.01145700  0.83313000  0.50045700  1
  Li  Li15  1  0.99962600  0.49930400  0.50078000  1
  Ti  Ti16  1  0.87294800  0.03830400  0.74961300  1
  Ti  Ti17  1  0.62165000  0.79004400  0.24916300  1
  Ti  Ti18  1  0.37123400  0.21187300  0.74938500  1
  Ti  Ti19  1  0.12291900  0.29028600  0.24964700  1
  Cr  Cr20  1  0.87556700  0.70294800  0.75022100  1
  Cr  Cr21  1  0.62761300  0.45954400  0.25058000  1
  Cr  Cr22  1  0.37653100  0.54754900  0.75089700  1
  Cr  Cr23  1  0.12663500  0.95912200  0.25033000  1
  O  O24  1  0.96141100  0.10739100  0.13576200  1
  O  O25  1  0.93129200  0.78618100  0.13794500  1
  O  O26  1  0.92027500  0.42880000  0.13558200  1
  O  O27  1  0.82659800  0.96584300  0.36165800  1
  O  O28  1  0.82518900  0.32134800  0.36660900  1
  O  O29  1  0.78632300  0.63898100  0.36220700  1
  O  O30  1  0.71409000  0.85227000  0.63754500  1
  O  O31  1  0.68543100  0.53841900  0.63797300  1
  O  O32  1  0.67861200  0.17647400  0.63380500  1
  O  O33  1  0.46060300  0.60760600  0.13540300  1
  O  O34  1  0.56499600  0.71283000  0.86269700  1
  O  O35  1  0.57118300  0.07326700  0.86587600  1
  O  O36  1  0.42014600  0.92862800  0.13548600  1
  O  O37  1  0.43189600  0.28667600  0.13832200  1
  O  O38  1  0.53623200  0.39789000  0.86171500  1
  O  O39  1  0.32478800  0.82080800  0.36643500  1
  O  O40  1  0.32733700  0.46617400  0.36215000  1
  O  O41  1  0.28590900  0.13893600  0.36205600  1
  O  O42  1  0.21425400  0.35939200  0.63759400  1
  O  O43  1  0.18523200  0.67346600  0.63631000  1
  O  O44  1  0.17874500  0.03432700  0.63574600  1
  O  O45  1  0.06495000  0.57553500  0.86412900  1
  O  O46  1  0.07116400  0.21573200  0.86431900  1
  O  O47  1  0.03589000  0.89015100  0.86173500  1
