# generated using pymatgen
data_Zr3AlAu2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76939453
_cell_length_b   8.76939514
_cell_length_c   8.76939571
_cell_angle_alpha   60.00000155
_cell_angle_beta   59.99999923
_cell_angle_gamma   59.99999967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3AlAu2C
_chemical_formula_sum   'Zr12 Al4 Au8 C4'
_cell_volume   476.86332136
_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  0.43830976  0.43830976  0.06169024  1.0
  Zr  Zr1  1  0.06169024  0.43830976  0.06169024  1.0
  Zr  Zr2  1  0.43830976  0.06169024  0.06169024  1.0
  Zr  Zr3  1  0.06169024  0.06169024  0.43830976  1.0
  Zr  Zr4  1  0.43830976  0.06169024  0.43830976  1.0
  Zr  Zr5  1  0.06169024  0.43830976  0.43830976  1.0
  Zr  Zr6  1  0.81169024  0.81169024  0.18830976  1.0
  Zr  Zr7  1  0.18830976  0.81169024  0.18830976  1.0
  Zr  Zr8  1  0.81169024  0.18830976  0.18830976  1.0
  Zr  Zr9  1  0.18830976  0.18830976  0.81169024  1.0
  Zr  Zr10  1  0.81169024  0.18830976  0.81169024  1.0
  Zr  Zr11  1  0.18830976  0.81169024  0.81169024  1.0
  Al  Al12  1  0.62500000  0.62500000  0.12500000  1.0
  Al  Al13  1  0.62500000  0.12500000  0.62500000  1.0
  Al  Al14  1  0.12500000  0.62500000  0.62500000  1.0
  Al  Al15  1  0.62500000  0.62500000  0.62500000  1.0
  Au  Au16  1  0.83699438  0.83699438  0.48901687  1.0
  Au  Au17  1  0.83699438  0.48901687  0.83699438  1.0
  Au  Au18  1  0.48901687  0.83699438  0.83699438  1.0
  Au  Au19  1  0.83699438  0.83699438  0.83699438  1.0
  Au  Au20  1  0.41300562  0.41300562  0.76098313  1.0
  Au  Au21  1  0.41300562  0.76098313  0.41300562  1.0
  Au  Au22  1  0.76098313  0.41300562  0.41300562  1.0
  Au  Au23  1  0.41300562  0.41300562  0.41300562  1.0
  C  C24  1  0.12500000  0.12500000  0.62500000  1.0
  C  C25  1  0.12500000  0.62500000  0.12500000  1.0
  C  C26  1  0.62500000  0.12500000  0.12500000  1.0
  C  C27  1  0.12500000  0.12500000  0.12500000  1.0