# generated using pymatgen
data_Ca2Al7Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21945840
_cell_length_b   4.21945840
_cell_length_c   11.47590531
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al7Au
_chemical_formula_sum   'Ca2 Al7 Au1'
_cell_volume   204.31505821
_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  0.00000000  0.00008356  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.49878568  1.0
  Al  Al2  1  0.00000000  0.50000000  0.24595753  1.0
  Al  Al3  1  0.50000000  0.00000000  0.75134238  1.0
  Al  Al4  1  0.50000000  0.00000000  0.24595753  1.0
  Al  Al5  1  0.00000000  0.50000000  0.75134238  1.0
  Al  Al6  1  0.00000000  0.00000000  0.61134297  1.0
  Al  Al7  1  0.00000000  0.00000000  0.38820353  1.0
  Al  Al8  1  0.50000000  0.50000000  0.89425950  1.0
  Au  Au9  1  0.50000000  0.50000000  0.11272493  1.0