# generated using pymatgen
data_Zr3(Al2C3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.54893879
_cell_length_b   16.54893879
_cell_length_c   16.54893882
_cell_angle_alpha   11.64260810
_cell_angle_beta   11.64260810
_cell_angle_gamma   11.64260683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3(Al2C3)2
_chemical_formula_sum   'Zr3 Al4 C6'
_cell_volume   160.39926388
_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
  Zr  Zr0  1  0.50000000  0.50000000  0.50000000  1.0
  Zr  Zr1  1  0.11173000  0.11173000  0.11173000  1.0
  Zr  Zr2  1  0.88827000  0.88827000  0.88827000  1.0
  Al  Al3  1  0.64755900  0.64755900  0.64755900  1.0
  Al  Al4  1  0.73149000  0.73149000  0.73149000  1.0
  Al  Al5  1  0.26851000  0.26851000  0.26851000  1.0
  Al  Al6  1  0.35244100  0.35244100  0.35244100  1.0
  C  C7  1  0.69186500  0.69186500  0.69186500  1.0
  C  C8  1  0.58371800  0.58371800  0.58371800  1.0
  C  C9  1  0.30813500  0.30813500  0.30813500  1.0
  C  C10  1  0.19451400  0.19451400  0.19451400  1.0
  C  C11  1  0.41628200  0.41628200  0.41628200  1.0
  C  C12  1  0.80548600  0.80548600  0.80548600  1.0