# generated using pymatgen
data_Al4Ni12C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67037945
_cell_length_b   3.67037945
_cell_length_c   14.04846119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ni12C
_chemical_formula_sum   'Al4 Ni12 C1'
_cell_volume   189.25644820
_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  0.86160900  1
  Al  Al1  1  0.00000000  0.00000000  0.13839100  1
  Al  Al2  1  0.00000000  0.00000000  0.37827800  1
  Al  Al3  1  0.00000000  0.00000000  0.62172200  1
  Ni  Ni4  1  0.50000000  0.50000000  0.86842100  1
  Ni  Ni5  1  0.50000000  0.50000000  0.13157900  1
  Ni  Ni6  1  0.50000000  0.50000000  0.37517400  1
  Ni  Ni7  1  0.50000000  0.50000000  0.62482600  1
  Ni  Ni8  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni9  1  0.50000000  0.00000000  0.25477900  1
  Ni  Ni10  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni11  1  0.50000000  0.00000000  0.74522100  1
  Ni  Ni12  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni13  1  0.00000000  0.50000000  0.25477900  1
  Ni  Ni14  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni15  1  0.00000000  0.50000000  0.74522100  1
  C  C16  1  0.50000000  0.50000000  0.00000000  1
