# generated using pymatgen
data_LaScRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.37109502
_cell_length_b   11.37109502
_cell_length_c   11.37109502
_cell_angle_alpha   131.79967393
_cell_angle_beta   116.17933899
_cell_angle_gamma   83.81664744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScRu2
_chemical_formula_sum   'La1 Sc1 Ru2'
_cell_volume   944.71242326
_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
  La  La0  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  0.24963800  0.24963800  1.0
  Ru  Ru3  1  0.00000000  0.75036200  0.75036200  1.0