# generated using pymatgen
data_Ti3Al2CuC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12458730
_cell_length_b   8.12458767
_cell_length_c   8.12458749
_cell_angle_alpha   60.00000476
_cell_angle_beta   60.00000327
_cell_angle_gamma   59.99999903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2CuC
_chemical_formula_sum   'Ti12 Al8 Cu4 C4'
_cell_volume   379.21803518
_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  0.93488504  0.93488504  0.56511496  1.0
  Ti  Ti1  1  0.68488504  0.31511496  0.31511496  1.0
  Ti  Ti2  1  0.31511496  0.68488504  0.68488504  1.0
  Ti  Ti3  1  0.68488504  0.68488504  0.31511496  1.0
  Ti  Ti4  1  0.68488504  0.31511496  0.68488504  1.0
  Ti  Ti5  1  0.31511496  0.68488504  0.31511496  1.0
  Ti  Ti6  1  0.56511496  0.93488504  0.56511496  1.0
  Ti  Ti7  1  0.56511496  0.93488504  0.93488504  1.0
  Ti  Ti8  1  0.93488504  0.56511496  0.56511496  1.0
  Ti  Ti9  1  0.93488504  0.56511496  0.93488504  1.0
  Ti  Ti10  1  0.31511496  0.31511496  0.68488504  1.0
  Ti  Ti11  1  0.56511496  0.56511496  0.93488504  1.0
  Al  Al12  1  0.91679393  0.24961822  0.91679393  1.0
  Al  Al13  1  0.33320607  0.33320607  0.00038178  1.0
  Al  Al14  1  0.00038178  0.33320607  0.33320607  1.0
  Al  Al15  1  0.33320607  0.33320607  0.33320607  1.0
  Al  Al16  1  0.24961822  0.91679393  0.91679393  1.0
  Al  Al17  1  0.91679393  0.91679393  0.91679393  1.0
  Al  Al18  1  0.91679393  0.91679393  0.24961822  1.0
  Al  Al19  1  0.33320607  0.00038178  0.33320607  1.0
  Cu  Cu20  1  0.12500000  0.62500000  0.12500000  1.0
  Cu  Cu21  1  0.12500000  0.12500000  0.62500000  1.0
  Cu  Cu22  1  0.62500000  0.12500000  0.12500000  1.0
  Cu  Cu23  1  0.12500000  0.12500000  0.12500000  1.0
  C  C24  1  0.62500000  0.12500000  0.62500000  1.0
  C  C25  1  0.62500000  0.62500000  0.12500000  1.0
  C  C26  1  0.12500000  0.62500000  0.62500000  1.0
  C  C27  1  0.62500000  0.62500000  0.62500000  1.0