# generated using pymatgen
data_Ti3ZnCu2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95959651
_cell_length_b   7.95959553
_cell_length_c   7.95959603
_cell_angle_alpha   59.99999795
_cell_angle_beta   60.00000201
_cell_angle_gamma   60.00000200
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3ZnCu2O
_chemical_formula_sum   'Ti12 Zn4 Cu8 O4'
_cell_volume   356.58090873
_cell_formula_units_Z   4
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  0.81584871  0.18415129  0.81584871  1.0
  Ti  Ti1  1  0.18415129  0.81584871  0.18415129  1.0
  Ti  Ti2  1  0.43415129  0.06584871  0.43415129  1.0
  Ti  Ti3  1  0.43415129  0.06584871  0.06584871  1.0
  Ti  Ti4  1  0.06584871  0.43415129  0.43415129  1.0
  Ti  Ti5  1  0.06584871  0.43415129  0.06584871  1.0
  Ti  Ti6  1  0.18415129  0.18415129  0.81584871  1.0
  Ti  Ti7  1  0.43415129  0.43415129  0.06584871  1.0
  Ti  Ti8  1  0.18415129  0.81584871  0.81584871  1.0
  Ti  Ti9  1  0.81584871  0.18415129  0.18415129  1.0
  Ti  Ti10  1  0.06584871  0.06584871  0.43415129  1.0
  Ti  Ti11  1  0.81584871  0.81584871  0.18415129  1.0
  Zn  Zn12  1  0.12500000  0.62500000  0.62500000  1.0
  Zn  Zn13  1  0.62500000  0.62500000  0.12500000  1.0
  Zn  Zn14  1  0.62500000  0.62500000  0.62500000  1.0
  Zn  Zn15  1  0.62500000  0.12500000  0.62500000  1.0
  Cu  Cu16  1  0.41558090  0.75325730  0.41558090  1.0
  Cu  Cu17  1  0.83441910  0.83441910  0.49674270  1.0
  Cu  Cu18  1  0.83441910  0.83441910  0.83441910  1.0
  Cu  Cu19  1  0.49674270  0.83441910  0.83441910  1.0
  Cu  Cu20  1  0.41558090  0.41558090  0.41558090  1.0
  Cu  Cu21  1  0.41558090  0.41558090  0.75325730  1.0
  Cu  Cu22  1  0.83441910  0.49674270  0.83441910  1.0
  Cu  Cu23  1  0.75325730  0.41558090  0.41558090  1.0
  O  O24  1  0.12500000  0.12500000  0.62500000  1.0
  O  O25  1  0.62500000  0.12500000  0.12500000  1.0
  O  O26  1  0.12500000  0.12500000  0.12500000  1.0
  O  O27  1  0.12500000  0.62500000  0.12500000  1.0