# generated using pymatgen
data_Ti3Zn2CuO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01513876
_cell_length_b   8.01513821
_cell_length_c   8.01496248
_cell_angle_alpha   60.00072932
_cell_angle_beta   60.00073158
_cell_angle_gamma   59.99853817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Zn2CuO
_chemical_formula_sum   'Ti12 Zn8 Cu4 O4'
_cell_volume   364.08983459
_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  0.93247855  0.56901746  0.56769864  1.0
  Ti  Ti1  1  0.68230136  0.31919465  0.68098254  1.0
  Ti  Ti2  1  0.93247855  0.56901746  0.93080535  1.0
  Ti  Ti3  1  0.56901746  0.93247855  0.93080535  1.0
  Ti  Ti4  1  0.31919465  0.68230136  0.31752145  1.0
  Ti  Ti5  1  0.56901746  0.93247855  0.56769864  1.0
  Ti  Ti6  1  0.68514632  0.68514632  0.31485368  1.0
  Ti  Ti7  1  0.93514632  0.93514632  0.56485368  1.0
  Ti  Ti8  1  0.32138887  0.32138887  0.67861113  1.0
  Ti  Ti9  1  0.68230136  0.31919465  0.31752145  1.0
  Ti  Ti10  1  0.57138887  0.57138887  0.92861113  1.0
  Ti  Ti11  1  0.31919465  0.68230136  0.68098254  1.0
  Zn  Zn12  1  0.24845416  0.91595190  0.91779697  1.0
  Zn  Zn13  1  0.33220303  0.33220303  0.33404810  1.0
  Zn  Zn14  1  0.33220303  0.33220303  0.00154584  1.0
  Zn  Zn15  1  0.91595190  0.24845416  0.91779697  1.0
  Zn  Zn16  1  0.11736208  0.62723195  0.12770349  1.0
  Zn  Zn17  1  0.12229651  0.12229651  0.62276805  1.0
  Zn  Zn18  1  0.62723195  0.11736208  0.12770349  1.0
  Zn  Zn19  1  0.12229651  0.12229651  0.13263792  1.0
  Cu  Cu20  1  0.91435863  0.91435863  0.91416459  1.0
  Cu  Cu21  1  0.99288285  0.33583541  0.33564137  1.0
  Cu  Cu22  1  0.91435863  0.91435863  0.25711715  1.0
  Cu  Cu23  1  0.33583541  0.99288285  0.33564137  1.0
  O  O24  1  0.62779571  0.12496072  0.62362229  1.0
  O  O25  1  0.62637771  0.62637771  0.12503928  1.0
  O  O26  1  0.12496072  0.62779571  0.62362229  1.0
  O  O27  1  0.62637771  0.62637771  0.62220429  1.0