# generated using pymatgen
data_Zr3Al2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98329483
_cell_length_b   7.65357510
_cell_length_c   7.65354846
_cell_angle_alpha   90.00014942
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al2
_chemical_formula_sum   'Zr12 Al8'
_cell_volume   409.06051656
_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
  Zr  Zr0  1  0.25000617  -0.00000000  0.50000000  1.0
  Zr  Zr1  1  0.74999383  -0.00000000  0.50000000  1.0
  Zr  Zr2  1  0.25000617  0.50000000  0.00000000  1.0
  Zr  Zr3  1  0.74999383  0.50000000  0.00000000  1.0
  Zr  Zr4  1  -0.00000000  0.34141840  0.34142040  1.0
  Zr  Zr5  1  0.50000000  0.15859427  0.84140473  1.0
  Zr  Zr6  1  0.50000000  0.84140573  0.15859527  1.0
  Zr  Zr7  1  -0.00000000  0.65858160  0.65857960  1.0
  Zr  Zr8  1  -0.00000000  0.19719047  0.80281053  1.0
  Zr  Zr9  1  0.50000000  0.69717022  0.69716822  1.0
  Zr  Zr10  1  0.50000000  0.30282978  0.30283178  1.0
  Zr  Zr11  1  -0.00000000  0.80280953  0.19718947  1.0
  Al  Al12  1  0.21576776  0.12078749  0.12078749  1.0
  Al  Al13  1  0.71576374  0.37921456  0.62078544  1.0
  Al  Al14  1  0.71576374  0.62078544  0.37921456  1.0
  Al  Al15  1  0.21576776  0.87921251  0.87921251  1.0
  Al  Al16  1  0.28423626  0.62078544  0.37921456  1.0
  Al  Al17  1  0.28423626  0.37921456  0.62078544  1.0
  Al  Al18  1  0.78423224  0.12078749  0.12078749  1.0
  Al  Al19  1  0.78423224  0.87921251  0.87921251  1.0