# generated using pymatgen
data_TiCu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99788800
_cell_length_b   5.49012600
_cell_length_c   5.97359009
_cell_angle_alpha   74.06089251
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu3O4
_chemical_formula_sum   'Ti1 Cu3 O4'
_cell_volume   94.53809660
_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
  Ti  Ti0  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1.0
  O  O4  1  0.50000000  0.62372300  0.67512900  1.0
  O  O5  1  0.00000000  0.06762800  0.68728400  1.0
  O  O6  1  0.50000000  0.37627700  0.32487100  1.0
  O  O7  1  0.00000000  0.93237200  0.31271600  1.0