# generated using pymatgen
data_Ca5(Si2Au3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71729047
_cell_length_b   5.71729047
_cell_length_c   26.52218744
_cell_angle_alpha   83.20778168
_cell_angle_beta   83.20778168
_cell_angle_gamma   45.89271605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(Si2Au3)2
_chemical_formula_sum   'Ca10 Si8 Au12'
_cell_volume   617.34156280
_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  0.02785734  0.02785734  0.15312920  1.0
  Ca  Ca1  1  0.82207907  0.82207907  0.56003584  1.0
  Ca  Ca2  1  0.42035868  0.42035868  0.35769320  1.0
  Ca  Ca3  1  0.62603437  0.62603437  0.95576219  1.0
  Ca  Ca4  1  0.22226002  0.22226002  0.75795351  1.0
  Ca  Ca5  1  0.77689347  0.77689347  0.07469816  1.0
  Ca  Ca6  1  0.57125975  0.57125975  0.47783668  1.0
  Ca  Ca7  1  0.17231403  0.17231403  0.27878029  1.0
  Ca  Ca8  1  0.37546865  0.37546865  0.87245246  1.0
  Ca  Ca9  1  0.97696020  0.97696020  0.67434978  1.0
  Si  Si10  1  0.33466395  0.33466395  0.98936180  1.0
  Si  Si11  1  0.92836554  0.92836554  0.79518625  1.0
  Si  Si12  1  0.52853229  0.52853229  0.59823832  1.0
  Si  Si13  1  0.12514641  0.12514641  0.40195973  1.0
  Si  Si14  1  0.73866743  0.73866743  0.19520758  1.0
  Si  Si15  1  0.07230446  0.07230446  0.86639841  1.0
  Si  Si16  1  0.67296582  0.67296582  0.66851651  1.0
  Si  Si17  1  0.27111071  0.27111071  0.47142021  1.0
  Au  Au18  1  0.86922454  0.86922454  0.27302157  1.0
  Au  Au19  1  0.47036552  0.47036552  0.06722446  1.0
  Au  Au20  1  0.68901376  0.68901376  0.84063593  1.0
  Au  Au21  1  0.29074950  0.29074950  0.64406366  1.0
  Au  Au22  1  0.88818093  0.88818093  0.44636253  1.0
  Au  Au23  1  0.51425125  0.51425125  0.23630364  1.0
  Au  Au24  1  0.11382049  0.11382049  0.03456023  1.0
  Au  Au25  1  0.91768968  0.91768968  0.95190010  1.0
  Au  Au26  1  0.51220967  0.51220967  0.75387737  1.0
  Au  Au27  1  0.11240527  0.11240527  0.55692705  1.0
  Au  Au28  1  0.70147697  0.70147697  0.36536339  1.0
  Au  Au29  1  0.30956722  0.30956722  0.16338097  1.0