# generated using pymatgen
data_Ca3SnAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63790196
_cell_length_b   8.85502436
_cell_length_c   16.60521975
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SnAu3
_chemical_formula_sum   'Ca12 Sn4 Au12'
_cell_volume   681.95536744
_cell_formula_units_Z   4
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  0.75000000  0.02629121  0.84449039  1.0
  Ca  Ca1  1  0.75000000  0.47370879  0.34449039  1.0
  Ca  Ca2  1  0.25000000  0.97370879  0.15550961  1.0
  Ca  Ca3  1  0.75000000  0.25023660  0.55492546  1.0
  Ca  Ca4  1  0.25000000  0.75023660  0.94507454  1.0
  Ca  Ca5  1  0.75000000  0.24976340  0.05492546  1.0
  Ca  Ca6  1  0.25000000  0.12963749  0.36771896  1.0
  Ca  Ca7  1  0.25000000  0.74976340  0.44507454  1.0
  Ca  Ca8  1  0.75000000  0.87036251  0.63228104  1.0
  Ca  Ca9  1  0.75000000  0.62963749  0.13228104  1.0
  Ca  Ca10  1  0.25000000  0.37036251  0.86771896  1.0
  Ca  Ca11  1  0.25000000  0.52629121  0.65550961  1.0
  Sn  Sn12  1  0.75000000  0.63846979  0.79227368  1.0
  Sn  Sn13  1  0.25000000  0.36153021  0.20772632  1.0
  Sn  Sn14  1  0.25000000  0.13846979  0.70772632  1.0
  Sn  Sn15  1  0.75000000  0.86153021  0.29227368  1.0
  Au  Au16  1  0.75000000  0.17514952  0.23866644  1.0
  Au  Au17  1  0.25000000  0.46681083  0.04794090  1.0
  Au  Au18  1  0.75000000  0.32485048  0.73866644  1.0
  Au  Au19  1  0.25000000  0.08483700  0.96922777  1.0
  Au  Au20  1  0.25000000  0.03318917  0.54794090  1.0
  Au  Au21  1  0.25000000  0.82485048  0.76133356  1.0
  Au  Au22  1  0.75000000  0.53318917  0.95205910  1.0
  Au  Au23  1  0.75000000  0.58483700  0.53077223  1.0
  Au  Au24  1  0.75000000  0.96681083  0.45205910  1.0
  Au  Au25  1  0.25000000  0.67514952  0.26133356  1.0
  Au  Au26  1  0.25000000  0.41516300  0.46922777  1.0
  Au  Au27  1  0.75000000  0.91516300  0.03077223  1.0