# generated using pymatgen
data_Zr3AlAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30763018
_cell_length_b   7.31437937
_cell_length_c   3.68451126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3AlAs
_chemical_formula_sum   'Zr6 Al2 As2'
_cell_volume   196.93999870
_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  0.99963070  0.00349694  0.00000000  1.0
  Zr  Zr1  1  0.49963070  0.49650306  0.00000000  1.0
  Zr  Zr2  1  0.67287852  0.17787096  0.50000000  1.0
  Zr  Zr3  1  0.17287852  0.32212904  0.50000000  1.0
  Zr  Zr4  1  0.82490788  0.66681923  0.50000000  1.0
  Zr  Zr5  1  0.32490788  0.83318077  0.50000000  1.0
  Al  Al6  1  0.62651856  0.87299304  0.00000000  1.0
  Al  Al7  1  0.12651856  0.62700696  0.00000000  1.0
  As  As8  1  0.87606435  0.37579642  0.00000000  1.0
  As  As9  1  0.37606435  0.12420358  0.00000000  1.0