# generated using pymatgen
data_Zr6Al7Cu16H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50728816
_cell_length_b   8.50728816
_cell_length_c   8.50728816
_cell_angle_alpha   120.33705754
_cell_angle_beta   120.09317657
_cell_angle_gamma   89.62793902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Al7Cu16H3
_chemical_formula_sum   'Zr6 Al7 Cu16 H3'
_cell_volume   433.94193908
_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
  Zr  Zr0  1  0.79725700  0.20357800  0.99936800  1.0
  Zr  Zr1  1  0.79725700  0.79788900  0.59367900  1.0
  Zr  Zr2  1  0.78782200  0.78782200  0.00000000  1.0
  Zr  Zr3  1  0.20421000  0.79788900  0.00063200  1.0
  Zr  Zr4  1  0.20421000  0.20357800  0.40632100  1.0
  Zr  Zr5  1  0.20680500  0.20680500  0.00000000  1.0
  Al  Al6  1  0.49830900  0.49678900  0.49703000  1.0
  Al  Al7  1  0.49830900  0.00128000  0.00152000  1.0
  Al  Al8  1  0.50030100  0.00030100  0.50000000  1.0
  Al  Al9  1  0.99975900  0.00128000  0.50297000  1.0
  Al  Al10  1  0.99975900  0.49678900  0.99848000  1.0
  Al  Al11  1  0.99862100  0.49862100  0.50000000  1.0
  Al  Al12  1  0.50014600  0.50014600  0.00000000  1.0
  Cu  Cu13  1  0.47028800  0.82240000  0.64788800  1.0
  Cu  Cu14  1  0.17451300  0.82240000  0.35211200  1.0
  Cu  Cu15  1  0.16870600  0.82749700  0.65879100  1.0
  Cu  Cu16  1  0.16870600  0.50991400  0.34120900  1.0
  Cu  Cu17  1  0.51402000  0.17054700  0.34347300  1.0
  Cu  Cu18  1  0.82707400  0.17054700  0.65652700  1.0
  Cu  Cu19  1  0.82927200  0.16902000  0.33974800  1.0
  Cu  Cu20  1  0.82927200  0.48952500  0.66025200  1.0
  Cu  Cu21  1  0.85871800  0.61931800  0.23940000  1.0
  Cu  Cu22  1  0.37991800  0.61931800  0.76060000  1.0
  Cu  Cu23  1  0.38095600  0.61998500  0.23902900  1.0
  Cu  Cu24  1  0.38095600  0.14192800  0.76097100  1.0
  Cu  Cu25  1  0.14205700  0.38072800  0.76132900  1.0
  Cu  Cu26  1  0.61939900  0.38072800  0.23867100  1.0
  Cu  Cu27  1  0.61862600  0.37898500  0.76035900  1.0
  Cu  Cu28  1  0.61862600  0.85826600  0.23964100  1.0
  H  H29  1  0.03021200  0.03021200  0.00000000  1.0
  H  H30  1  0.72770400  0.90785800  0.81984700  1.0
  H  H31  1  0.08801100  0.90785800  0.18015300  1.0