# generated using pymatgen
data_Zr4Al3RuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02043561
_cell_length_b   8.02043553
_cell_length_c   5.43887608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Al3RuN
_chemical_formula_sum   'Zr8 Al6 Ru2 N2'
_cell_volume   302.99519311
_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  0.22804342  0.00000000  0.25309984  1.0
  Zr  Zr1  1  0.77195658  1.00000000  0.74690016  1.0
  Zr  Zr2  1  0.00000000  0.22804342  0.25309984  1.0
  Zr  Zr3  1  1.00000000  0.77195658  0.74690016  1.0
  Zr  Zr4  1  0.77195658  0.77195658  0.25309984  1.0
  Zr  Zr5  1  0.22804342  0.22804342  0.74690016  1.0
  Zr  Zr6  1  0.66666700  0.33333300  0.50000000  1.0
  Zr  Zr7  1  0.33333300  0.66666700  0.50000000  1.0
  Al  Al8  1  0.58656532  0.00000000  0.21905588  1.0
  Al  Al9  1  0.41343468  1.00000000  0.78094412  1.0
  Al  Al10  1  0.00000000  0.58656532  0.21905588  1.0
  Al  Al11  1  1.00000000  0.41343468  0.78094412  1.0
  Al  Al12  1  0.41343468  0.41343468  0.21905588  1.0
  Al  Al13  1  0.58656532  0.58656532  0.78094412  1.0
  Ru  Ru14  1  0.33333300  0.66666700  0.00000000  1.0
  Ru  Ru15  1  0.66666700  0.33333300  0.00000000  1.0
  N  N16  1  0.00000000  0.00000000  0.00000000  1.0
  N  N17  1  0.00000000  0.00000000  0.50000000  1.0