# generated using pymatgen
data_Al3Ni9C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69516993
_cell_length_b   3.69516993
_cell_length_c   10.54326879
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni9C
_chemical_formula_sum   'Al3 Ni9 C1'
_cell_volume   143.96075273
_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
  Al  Al0  1  0.00000000  0.00000000  0.81399000  1
  Al  Al1  1  0.00000000  0.00000000  0.18601000  1
  Al  Al2  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni3  1  0.50000000  0.50000000  0.82367900  1
  Ni  Ni4  1  0.50000000  0.50000000  0.17632100  1
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni6  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.50000000  0.00000000  0.34018100  1
  Ni  Ni8  1  0.50000000  0.00000000  0.65981900  1
  Ni  Ni9  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni10  1  0.00000000  0.50000000  0.34018100  1
  Ni  Ni11  1  0.00000000  0.50000000  0.65981900  1
  C  C12  1  0.50000000  0.50000000  0.00000000  1
