# generated using pymatgen
data_TiCu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.55185700
_cell_length_b   3.08972300
_cell_length_c   5.90079345
_cell_angle_alpha   62.97061804
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu3O4
_chemical_formula_sum   'Ti2 Cu6 O8'
_cell_volume   187.60702567
_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
  Ti  Ti0  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.24881300  0.69299600  0.82686900  1.0
  Cu  Cu4  1  0.75118700  0.30700400  0.17313100  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu6  1  0.25118700  0.69299600  0.32686900  1.0
  Cu  Cu7  1  0.74881300  0.30700400  0.67313100  1.0
  O  O8  1  0.40572900  0.75536700  0.80251900  1.0
  O  O9  1  0.08921500  0.64494400  0.84182400  1.0
  O  O10  1  0.91078500  0.35505600  0.15817600  1.0
  O  O11  1  0.59427100  0.24463300  0.19748100  1.0
  O  O12  1  0.41078500  0.64494400  0.34182400  1.0
  O  O13  1  0.09427100  0.75536700  0.30251900  1.0
  O  O14  1  0.58921500  0.35505600  0.65817600  1.0
  O  O15  1  0.90572900  0.24463300  0.69748100  1.0