# generated using pymatgen
data_Ti3AlCu2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97640772
_cell_length_b   7.97640810
_cell_length_c   7.97640805
_cell_angle_alpha   60.00000019
_cell_angle_beta   59.99999861
_cell_angle_gamma   60.00000066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3AlCu2O
_chemical_formula_sum   'Ti12 Al4 Cu8 O4'
_cell_volume   358.84514492
_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  0.93440801  0.56559199  0.56559199  1.0
  Ti  Ti1  1  0.68440801  0.31559199  0.68440801  1.0
  Ti  Ti2  1  0.93440801  0.56559199  0.93440801  1.0
  Ti  Ti3  1  0.56559199  0.93440801  0.93440801  1.0
  Ti  Ti4  1  0.31559199  0.68440801  0.31559199  1.0
  Ti  Ti5  1  0.56559199  0.93440801  0.56559199  1.0
  Ti  Ti6  1  0.68440801  0.68440801  0.31559199  1.0
  Ti  Ti7  1  0.93440801  0.93440801  0.56559199  1.0
  Ti  Ti8  1  0.31559199  0.31559199  0.68440801  1.0
  Ti  Ti9  1  0.68440801  0.31559199  0.31559199  1.0
  Ti  Ti10  1  0.56559199  0.56559199  0.93440801  1.0
  Ti  Ti11  1  0.31559199  0.68440801  0.68440801  1.0
  Al  Al12  1  0.12500000  0.62500000  0.12500000  1.0
  Al  Al13  1  0.12500000  0.12500000  0.62500000  1.0
  Al  Al14  1  0.62500000  0.12500000  0.12500000  1.0
  Al  Al15  1  0.12500000  0.12500000  0.12500000  1.0
  Cu  Cu16  1  0.25118047  0.91627351  0.91627351  1.0
  Cu  Cu17  1  0.33372649  0.33372649  0.33372649  1.0
  Cu  Cu18  1  0.33372649  0.33372649  0.99881953  1.0
  Cu  Cu19  1  0.91627351  0.25118047  0.91627351  1.0
  Cu  Cu20  1  0.91627351  0.91627351  0.91627351  1.0
  Cu  Cu21  1  0.99881953  0.33372649  0.33372649  1.0
  Cu  Cu22  1  0.91627351  0.91627351  0.25118047  1.0
  Cu  Cu23  1  0.33372649  0.99881953  0.33372649  1.0
  O  O24  1  0.62500000  0.12500000  0.62500000  1.0
  O  O25  1  0.62500000  0.62500000  0.12500000  1.0
  O  O26  1  0.12500000  0.62500000  0.62500000  1.0
  O  O27  1  0.62500000  0.62500000  0.62500000  1.0