# generated using pymatgen
data_Sc2Al3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27760745
_cell_length_b   5.27760785
_cell_length_c   8.53972171
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Al3Ru
_chemical_formula_sum   'Sc4 Al6 Ru2'
_cell_volume   205.99118603
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.05511442  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.55511042  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.44488958  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.94488558  1.0
  Al  Al4  1  0.83530460  0.67060919  0.25000200  1.0
  Al  Al5  1  0.16469540  0.83530460  0.74999800  1.0
  Al  Al6  1  0.67060919  0.83530460  0.74999800  1.0
  Al  Al7  1  0.32939081  0.16469540  0.25000200  1.0
  Al  Al8  1  0.83530460  0.16469540  0.25000200  1.0
  Al  Al9  1  0.16469540  0.32939081  0.74999800  1.0
  Ru  Ru10  1  -0.00000000  -0.00000000  0.50000000  1.0
  Ru  Ru11  1  -0.00000000  -0.00000000  0.00000000  1.0