# generated using pymatgen
data_Zr2FeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24162864
_cell_length_b   10.24162864
_cell_length_c   10.24162864
_cell_angle_alpha   128.93557697
_cell_angle_beta   116.75617195
_cell_angle_gamma   85.48955649
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2FeRu
_chemical_formula_sum   'Zr2 Fe1 Ru1'
_cell_volume   713.14173077
_cell_formula_units_Z   1
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  0.00000000  0.24513600  0.24513600  1.0
  Zr  Zr1  1  0.00000000  0.75486400  0.75486400  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru3  1  0.00000000  0.50000000  0.50000000  1.0