# generated using pymatgen
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06763013
_cell_length_b   5.06763013
_cell_length_c   19.40442188
_cell_angle_alpha   87.52873568
_cell_angle_beta   87.52873568
_cell_angle_gamma   120.14345384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiCrO6
_chemical_formula_sum   'Li16 Ti4 Cr4 O24'
_cell_volume   429.32241761
_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  0.50399000  0.24768900  0.37505400  1
  Li  Li1  1  0.37668300  0.12681100  0.74998900  1
  Li  Li2  1  0.41089200  0.83883800  0.62471500  1
  Li  Li3  1  0.99967400  0.74825900  0.87498100  1
  Li  Li4  1  0.87318900  0.62331700  0.25001100  1
  Li  Li5  1  0.75231100  0.49601000  0.62494600  1
  Li  Li6  1  0.90261700  0.33113800  0.12466200  1
  Li  Li7  1  0.25174100  0.00032600  0.12501900  1
  Li  Li8  1  0.33196900  0.40503500  0.87469400  1
  Li  Li9  1  0.16116200  0.58910800  0.37528500  1
  Li  Li10  1  0.83653000  0.91306500  0.37477200  1
  Li  Li11  1  0.66886200  0.09738300  0.87533800  1
  Li  Li12  1  0.08693500  0.16347000  0.62522800  1
  Li  Li13  1  0.12396900  0.87603100  0.50000000  1
  Li  Li14  1  0.59496500  0.66803100  0.12530600  1
  Li  Li15  1  0.62571900  0.37428100  0.00000000  1
  Ti  Ti16  1  0.45877500  0.54122500  0.50000000  1
  Ti  Ti17  1  0.29181300  0.70818700  0.00000000  1
  Ti  Ti18  1  0.70585700  0.78850700  0.74992900  1
  Ti  Ti19  1  0.21149300  0.29414300  0.25007100  1
  Cr  Cr20  1  0.95967900  0.04032100  0.00000000  1
  Cr  Cr21  1  0.79082500  0.20917500  0.50000000  1
  Cr  Cr22  1  0.04428000  0.46148200  0.75016200  1
  Cr  Cr23  1  0.53851800  0.95572000  0.24983800  1
  O  O24  1  0.46370900  0.21137100  0.55748100  1
  O  O25  1  0.78862900  0.53629100  0.44251900  1
  O  O26  1  0.96172300  0.71394700  0.05748300  1
  O  O27  1  0.34837800  0.74473500  0.80629300  1
  O  O28  1  0.50645200  0.90162500  0.44414000  1
  O  O29  1  0.28605300  0.03827700  0.94251700  1
  O  O30  1  0.39629500  0.50077100  0.69280100  1
  O  O31  1  0.85261500  0.24788000  0.30591900  1
  O  O32  1  0.99943200  0.39343700  0.94351500  1
  O  O33  1  0.75212000  0.14738500  0.69408100  1
  O  O34  1  0.75073500  0.85645700  0.55663900  1
  O  O35  1  0.88671800  0.99839900  0.19426600  1
  O  O36  1  0.09837500  0.49354800  0.55586000  1
  O  O37  1  0.25526500  0.65162200  0.19370700  1
  O  O38  1  0.24305400  0.34832500  0.05612200  1
  O  O39  1  0.00160100  0.11328200  0.80573400  1
  O  O40  1  0.14354300  0.24926500  0.44336100  1
  O  O41  1  0.60656300  0.00056800  0.05648500  1
  O  O42  1  0.70941600  0.46314900  0.80797000  1
  O  O43  1  0.49922900  0.60370500  0.30719900  1
  O  O44  1  0.65167500  0.75694600  0.94387800  1
  O  O45  1  0.03922100  0.78010000  0.69286600  1
  O  O46  1  0.21990000  0.96077900  0.30713400  1
  O  O47  1  0.53685100  0.29058400  0.19203000  1
