# generated using pymatgen
data_Zr3AuC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11718724
_cell_length_b   6.11718641
_cell_length_c   9.08916922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.75057525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3AuC
_chemical_formula_sum   'Zr6 Au2 C2'
_cell_volume   181.48820366
_cell_formula_units_Z   2
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  0.12608801  0.87391399  0.05242411  1.0
  Zr  Zr1  1  0.44932109  0.55067991  0.25000000  1.0
  Zr  Zr2  1  0.12608801  0.87391399  0.44757489  1.0
  Zr  Zr3  1  0.87391399  0.12608801  0.55242411  1.0
  Zr  Zr4  1  0.55067991  0.44932109  0.75000000  1.0
  Zr  Zr5  1  0.87391399  0.12608801  0.94757589  1.0
  Au  Au6  1  0.75121215  0.24878985  0.25000000  1.0
  Au  Au7  1  0.24878985  0.75121215  0.75000000  1.0
  C  C8  1  0.50000100  0.50000100  0.00000000  1.0
  C  C9  1  0.50000100  0.50000100  0.50000000  1.0