# generated using pymatgen
data_Li2TiCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99688700
_cell_length_b   5.06609700
_cell_length_c   5.10285664
_cell_angle_alpha   72.71244600
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCuO4
_chemical_formula_sum   'Li2 Ti1 Cu1 O4'
_cell_volume   73.97435512
_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  0.50000000  0.50000000  0.00000000  1
  Ti  Ti2  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu3  1  0.50000000  0.00000000  0.50000000  1
  O  O4  1  0.00000000  0.73395800  0.73836000  1
  O  O5  1  0.50000000  0.27271300  0.72308700  1
  O  O6  1  0.00000000  0.26604200  0.26164000  1
  O  O7  1  0.50000000  0.72728700  0.27691300  1
