# generated using pymatgen
data_ZrScRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83290639
_cell_length_b   10.83290639
_cell_length_c   10.83290639
_cell_angle_alpha   130.69861027
_cell_angle_beta   116.32200444
_cell_angle_gamma   84.52016229
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScRu2
_chemical_formula_sum   'Zr1 Sc1 Ru2'
_cell_volume   828.05755022
_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  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru2  1  0.00000000  0.25251500  0.25251500  1.0
  Ru  Ru3  1  0.00000000  0.74748500  0.74748500  1.0