# generated using pymatgen
data_Ca2AlAg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40438317
_cell_length_b   5.40438358
_cell_length_c   13.91453036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.96295902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlAg6
_chemical_formula_sum   'Ca4 Al2 Ag12'
_cell_volume   362.23021896
_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
  Ca  Ca0  1  0.32988740  0.32988740  0.11502320  1.0
  Ca  Ca1  1  0.67011260  0.67011260  0.61502320  1.0
  Ca  Ca2  1  0.32988740  0.32988740  0.38497680  1.0
  Ca  Ca3  1  0.67011260  0.67011260  0.88497680  1.0
  Al  Al4  1  0.83599818  0.83599818  0.25000000  1.0
  Al  Al5  1  0.16400182  0.16400182  0.75000000  1.0
  Ag  Ag6  1  0.83694252  0.33857380  0.25000000  1.0
  Ag  Ag7  1  0.16305748  0.66142620  0.75000000  1.0
  Ag  Ag8  1  0.33857380  0.83694252  0.25000000  1.0
  Ag  Ag9  1  0.66142620  0.16305748  0.75000000  1.0
  Ag  Ag10  1  0.99794603  0.67656845  0.07728353  1.0
  Ag  Ag11  1  0.00205397  0.32343155  0.57728353  1.0
  Ag  Ag12  1  0.67656845  0.99794603  0.42271647  1.0
  Ag  Ag13  1  0.32343155  0.00205397  0.92271647  1.0
  Ag  Ag14  1  0.00205397  0.32343155  0.92271647  1.0
  Ag  Ag15  1  0.99794603  0.67656845  0.42271647  1.0
  Ag  Ag16  1  0.32343155  0.00205397  0.57728353  1.0
  Ag  Ag17  1  0.67656845  0.99794603  0.07728353  1.0