# generated using pymatgen
data_Li2TiCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16821395
_cell_length_b   6.16821395
_cell_length_c   6.16821395
_cell_angle_alpha   124.66524979
_cell_angle_beta   124.03536728
_cell_angle_gamma   82.61792618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCuO4
_chemical_formula_sum   'Li4 Ti2 Cu2 O8'
_cell_volume   153.62517823
_cell_formula_units_Z   2
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  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Li  Li3  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti4  1  0.50000000  0.00000000  0.50000000  1
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu6  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu7  1  0.00000000  0.50000000  0.00000000  1
  O  O8  1  0.79966400  0.78230000  0.01736400  1
  O  O9  1  0.26688900  0.78124100  0.01435200  1
  O  O10  1  0.26493700  0.78230000  0.48263600  1
  O  O11  1  0.26688900  0.25253700  0.48564800  1
  O  O12  1  0.73311100  0.74746300  0.51435200  1
  O  O13  1  0.73506300  0.21770000  0.51736400  1
  O  O14  1  0.73311100  0.21875900  0.98564800  1
  O  O15  1  0.20033600  0.21770000  0.98263600  1
