# generated using pymatgen
data_Ca2AlZn16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76307468
_cell_length_b   6.76307468
_cell_length_c   6.76307485
_cell_angle_alpha   82.91020395
_cell_angle_beta   82.91020395
_cell_angle_gamma   82.91019247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlZn16
_chemical_formula_sum   'Ca2 Al1 Zn16'
_cell_volume   302.78110729
_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
  Ca  Ca0  1  0.66200047  0.66200047  0.66200047  1.0
  Ca  Ca1  1  0.33920985  0.33920985  0.33920985  1.0
  Al  Al2  1  0.09624810  0.09624810  0.09624810  1.0
  Zn  Zn3  1  0.34912434  0.83992736  0.34912434  1.0
  Zn  Zn4  1  0.34912434  0.34912434  0.83992736  1.0
  Zn  Zn5  1  0.83992736  0.34912434  0.34912434  1.0
  Zn  Zn6  1  0.65152546  0.16093457  0.65152546  1.0
  Zn  Zn7  1  0.65152546  0.65152546  0.16093457  1.0
  Zn  Zn8  1  0.16093457  0.65152546  0.65152546  1.0
  Zn  Zn9  1  0.29664274  0.70339674  0.00000791  1.0
  Zn  Zn10  1  0.00000791  0.29664274  0.70339674  1.0
  Zn  Zn11  1  0.70339674  0.00000791  0.29664274  1.0
  Zn  Zn12  1  0.00000791  0.70339674  0.29664274  1.0
  Zn  Zn13  1  0.29664274  0.00000791  0.70339674  1.0
  Zn  Zn14  1  0.70339674  0.29664274  0.00000791  1.0
  Zn  Zn15  1  0.99958317  0.99958317  0.50145929  1.0
  Zn  Zn16  1  0.50145929  0.99958317  0.99958317  1.0
  Zn  Zn17  1  0.99958317  0.50145929  0.99958317  1.0
  Zn  Zn18  1  0.89966066  0.89966066  0.89966066  1.0