# generated using pymatgen
data_Ca2(ZnAu3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63830345
_cell_length_b   5.63830345
_cell_length_c   9.88622561
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.90291644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2(ZnAu3)3
_chemical_formula_sum   'Ca2 Zn3 Au9'
_cell_volume   260.85374347
_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  0.00000000  0.50000000  0.75593488  1.0
  Ca  Ca1  1  0.50000000  -0.00000000  0.24406512  1.0
  Zn  Zn2  1  0.00000000  -0.00000000  0.50000000  1.0
  Zn  Zn3  1  0.00000000  -0.00000000  0.00000000  1.0
  Zn  Zn4  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au5  1  0.00000000  0.50000000  0.05838663  1.0
  Au  Au6  1  0.50000000  -0.00000000  0.54417856  1.0
  Au  Au7  1  0.50000000  -0.00000000  0.94161337  1.0
  Au  Au8  1  0.00000000  0.50000000  0.45582144  1.0
  Au  Au9  1  0.70251193  0.80241716  0.74115404  1.0
  Au  Au10  1  0.19758284  0.29748807  0.25884596  1.0
  Au  Au11  1  0.80241716  0.70251193  0.25884596  1.0
  Au  Au12  1  0.29748807  0.19758284  0.74115404  1.0
  Au  Au13  1  0.50000000  0.50000000  0.00000000  1.0