# generated using pymatgen
data_ZrAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99506385
_cell_length_b   3.99506514
_cell_length_c   9.07266337
_cell_angle_alpha   102.70035618
_cell_angle_beta   102.70035211
_cell_angle_gamma   90.03187831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl3
_chemical_formula_sum   'Zr2 Al6'
_cell_volume   137.62349946
_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  0.11879205  0.11879205  0.23756410  1.0
  Zr  Zr1  1  0.88120795  0.88120795  0.76243590  1.0
  Al  Al2  1  0.50000000  -0.00000000  -0.00000000  1.0
  Al  Al3  1  -0.00000000  0.50000000  -0.00000000  1.0
  Al  Al4  1  0.74995858  0.25004142  0.50000000  1.0
  Al  Al5  1  0.25004142  0.74995858  0.50000000  1.0
  Al  Al6  1  0.37475032  0.37475032  0.74940895  1.0
  Al  Al7  1  0.62524968  0.62524968  0.25059105  1.0