# generated using pymatgen
data_Zr2Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53999809
_cell_length_b   5.53993822
_cell_length_c   7.50252654
_cell_angle_alpha   100.73744256
_cell_angle_beta   100.73812136
_cell_angle_gamma   119.69775861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Al3
_chemical_formula_sum   'Zr4 Al6'
_cell_volume   185.74767959
_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
  Zr  Zr0  1  0.86532466  0.72772182  0.60539037  1.0
  Zr  Zr1  1  0.12232302  0.25995324  0.39463172  1.0
  Zr  Zr2  1  0.97769491  0.61529938  0.10538125  1.0
  Zr  Zr3  1  0.50994103  0.87232001  0.89462301  1.0
  Al  Al4  1  0.13457730  0.13448364  0.99997142  1.0
  Al  Al5  1  0.38449631  0.88458143  0.49997832  1.0
  Al  Al6  1  0.45485035  0.31681176  0.76881230  1.0
  Al  Al7  1  0.54802701  0.68596206  0.23119848  1.0
  Al  Al8  1  0.56680201  0.20482057  0.26880184  1.0
  Al  Al9  1  0.93596040  0.29804408  0.73120928  1.0