# generated using pymatgen
data_ZrAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37867823
_cell_length_b   4.26310547
_cell_length_c   5.70375121
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.22832989
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl
_chemical_formula_sum   'Zr2 Al2'
_cell_volume   78.46877903
_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  0.84067966  0.25000000  0.68135832  1.0
  Zr  Zr1  1  0.15932034  0.75000000  0.31864168  1.0
  Al  Al2  1  0.57127747  0.25000000  0.14255595  1.0
  Al  Al3  1  0.42872253  0.75000000  0.85744405  1.0