# generated using pymatgen
data_Li3Ti2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75498255
_cell_length_b   6.75498255
_cell_length_c   6.01210940
_cell_angle_alpha   76.91387307
_cell_angle_beta   76.91387307
_cell_angle_gamma   25.23176273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti2CuO6
_chemical_formula_sum   'Li3 Ti2 Cu1 O6'
_cell_volume   113.75101176
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.66327200  0.66327200  0.66823900  1
  Li  Li2  1  0.33672800  0.33672800  0.33176100  1
  Ti  Ti3  1  0.65534100  0.65534100  0.17922100  1
  Ti  Ti4  1  0.34465900  0.34465900  0.82077900  1
  Cu  Cu5  1  0.00000000  0.00000000  0.50000000  1
  O  O6  1  0.17770100  0.17770100  0.38509100  1
  O  O7  1  0.82841000  0.82841000  0.05823000  1
  O  O8  1  0.82229900  0.82229900  0.61490900  1
  O  O9  1  0.48828600  0.48828600  0.76826300  1
  O  O10  1  0.51171400  0.51171400  0.23173700  1
  O  O11  1  0.17159000  0.17159000  0.94177000  1
