# generated using pymatgen
data_Zr2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37703301
_cell_length_b   5.53787462
_cell_length_c   5.53787464
_cell_angle_alpha   76.36778036
_cell_angle_beta   60.95620338
_cell_angle_gamma   60.95621219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Al
_chemical_formula_sum   'Zr4 Al2'
_cell_volume   126.03731228
_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  0.65140017  0.19719766  0.50000000  1.0
  Zr  Zr1  1  0.84859983  0.50000000  0.80280234  1.0
  Zr  Zr2  1  0.34859983  0.80280234  0.50000000  1.0
  Zr  Zr3  1  0.15140017  0.50000000  0.19719766  1.0
  Al  Al4  1  0.75000000  -0.00000000  -0.00000000  1.0
  Al  Al5  1  0.25000000  -0.00000000  -0.00000000  1.0