# generated using pymatgen
data_Li4TiCr5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13871383
_cell_length_b   5.13871383
_cell_length_c   10.12606175
_cell_angle_alpha   89.97534073
_cell_angle_beta   89.97534073
_cell_angle_gamma   120.02111125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiCr5O12
_chemical_formula_sum   'Li4 Ti1 Cr5 O12'
_cell_volume   231.51944964
_cell_formula_units_Z   1
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  0.84705000  0.34843600  0.25107800  1
  Li  Li1  1  0.65156400  0.15295000  0.74892200  1
  Li  Li2  1  0.34843600  0.84705000  0.25107800  1
  Li  Li3  1  0.15295000  0.65156400  0.74892200  1
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr5  1  0.83491700  0.16508300  0.50000000  1
  Cr  Cr6  1  0.33600400  0.66399600  0.00000000  1
  Cr  Cr7  1  0.66399600  0.33600400  0.00000000  1
  Cr  Cr8  1  0.16508300  0.83491700  0.50000000  1
  Cr  Cr9  1  0.50000000  0.50000000  0.50000000  1
  O  O10  1  0.99452300  0.33166000  0.89316800  1
  O  O11  1  0.66834000  0.00547700  0.10683200  1
  O  O12  1  0.83559800  0.49217100  0.60611300  1
  O  O13  1  0.49217100  0.83559800  0.60611300  1
  O  O14  1  0.50782900  0.16440200  0.39388700  1
  O  O15  1  0.83104700  0.83104700  0.40595400  1
  O  O16  1  0.16440200  0.50782900  0.39388700  1
  O  O17  1  0.33166000  0.99452300  0.89316800  1
  O  O18  1  0.67600200  0.67600200  0.90034700  1
  O  O19  1  0.00547700  0.66834000  0.10683200  1
  O  O20  1  0.32399800  0.32399800  0.09965300  1
  O  O21  1  0.16895300  0.16895300  0.59404600  1
