# generated using pymatgen
data_TiNb3(Al3Cu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13294381
_cell_length_b   5.13294301
_cell_length_c   7.92678454
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb3(Al3Cu)2
_chemical_formula_sum   'Ti1 Nb3 Al6 Cu2'
_cell_volume   180.86754452
_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  0.66666600  0.33333300  0.06895798  1.0
  Nb  Nb1  1  0.66666600  0.33333300  0.43263671  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.56890487  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.92847912  1.0
  Al  Al4  1  0.16926819  0.33853738  0.24850431  1.0
  Al  Al5  1  0.16926719  0.83073081  0.24850431  1.0
  Al  Al6  1  0.66146362  0.83073081  0.24850431  1.0
  Al  Al7  1  0.33894545  0.16947173  0.75153908  1.0
  Al  Al8  1  0.83052627  0.16947173  0.75153908  1.0
  Al  Al9  1  0.83052627  0.66105455  0.75153908  1.0
  Cu  Cu10  1  0.00000000  0.00000000  0.00066422  1.0
  Cu  Cu11  1  0.00000000  0.00000000  0.50022893  1.0