# generated using pymatgen
data_Zr3Al2CuC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62940115
_cell_length_b   8.62940185
_cell_length_c   8.62940203
_cell_angle_alpha   60.00000310
_cell_angle_beta   60.00000041
_cell_angle_gamma   60.00000296
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al2CuC
_chemical_formula_sum   'Zr12 Al8 Cu4 C4'
_cell_volume   454.38823430
_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
  Zr  Zr0  1  0.56129726  0.93870274  0.56129726  1.0
  Zr  Zr1  1  0.31129726  0.68870274  0.68870274  1.0
  Zr  Zr2  1  0.68870274  0.31129726  0.31129726  1.0
  Zr  Zr3  1  0.31129726  0.68870274  0.31129726  1.0
  Zr  Zr4  1  0.68870274  0.68870274  0.31129726  1.0
  Zr  Zr5  1  0.31129726  0.31129726  0.68870274  1.0
  Zr  Zr6  1  0.56129726  0.56129726  0.93870274  1.0
  Zr  Zr7  1  0.93870274  0.56129726  0.56129726  1.0
  Zr  Zr8  1  0.56129726  0.93870274  0.93870274  1.0
  Zr  Zr9  1  0.93870274  0.93870274  0.56129726  1.0
  Zr  Zr10  1  0.68870274  0.31129726  0.68870274  1.0
  Zr  Zr11  1  0.93870274  0.56129726  0.93870274  1.0
  Al  Al12  1  0.92011579  0.92011579  0.92011579  1.0
  Al  Al13  1  0.01034837  0.32988421  0.32988421  1.0
  Al  Al14  1  0.32988421  0.01034837  0.32988421  1.0
  Al  Al15  1  0.32988421  0.32988421  0.01034837  1.0
  Al  Al16  1  0.92011579  0.23965163  0.92011579  1.0
  Al  Al17  1  0.92011579  0.92011579  0.23965163  1.0
  Al  Al18  1  0.23965163  0.92011579  0.92011579  1.0
  Al  Al19  1  0.32988421  0.32988421  0.32988421  1.0
  Cu  Cu20  1  0.12500000  0.12500000  0.12500000  1.0
  Cu  Cu21  1  0.62500000  0.12500000  0.12500000  1.0
  Cu  Cu22  1  0.12500000  0.62500000  0.12500000  1.0
  Cu  Cu23  1  0.12500000  0.12500000  0.62500000  1.0
  C  C24  1  0.62500000  0.62500000  0.62500000  1.0
  C  C25  1  0.12500000  0.62500000  0.62500000  1.0
  C  C26  1  0.62500000  0.12500000  0.62500000  1.0
  C  C27  1  0.62500000  0.62500000  0.12500000  1.0