[CIF]
data_CaAl9Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55607119
_cell_length_b   7.55607119
_cell_length_c   7.97088184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl9Ni
_chemical_formula_sum   'Ca2 Al18 Ni2'
_cell_volume   394.12055401
_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
  Al  Al0  1  0.00000000  6.22516061  5.97816138  1
  Al  Al1  1  2.16492396  3.11258030  1.99272046  1
  Al  Al2  1  5.39114723  3.11258030  1.99272046  1
  Al  Al3  1  -1.61311164  3.43116930  5.97816138  1
  Al  Al4  1  1.61311164  3.43116930  5.97816138  1
  Al  Al5  1  3.77803559  0.31858899  1.99272046  1
  Al  Al6  1  -0.00000000  2.72438217  0.12890518  1
  Al  Al7  1  5.19668701  1.36219109  4.11434610  1
  Al  Al8  1  2.35938417  1.36219109  4.11434610  1
  Al  Al9  1  1.41865142  5.18155851  0.12890518  1
  Al  Al10  1  -1.41865142  5.18155851  0.12890518  1
  Al  Al11  1  3.77803559  3.81936743  7.84197666  1
  Al  Al12  1  5.19668701  1.36219109  7.84197666  1
  Al  Al13  1  3.77803559  3.81936743  4.11434610  1
  Al  Al14  1  2.35938417  1.36219109  7.84197666  1
  Al  Al15  1  1.41865142  5.18155851  3.85653574  1
  Al  Al16  1  -0.00000000  2.72438217  3.85653574  1
  Al  Al17  1  -1.41865142  5.18155851  3.85653574  1
  Ca  Ca18  1  0.00000000  0.00000000  5.97816138  1
  Ca  Ca19  1  0.00000000  0.00000000  1.99272046  1
  Ni  Ni20  1  -0.00000000  4.36249973  1.99272046  1
  Ni  Ni21  1  3.77803559  2.18124987  5.97816138  1
[/CIF]
