# generated using pymatgen
data_Sc2B2MoRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40163287
_cell_length_b   9.40163287
_cell_length_c   3.02798833
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2B2MoRu5
_chemical_formula_sum   'Sc4 B4 Mo2 Ru10'
_cell_volume   267.64601013
_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  0.67484615  0.17484615  0.00000000  1.0
  Sc  Sc1  1  0.32515385  0.82515385  0.00000000  1.0
  Sc  Sc2  1  0.17484615  0.32515385  0.00000000  1.0
  Sc  Sc3  1  0.82515385  0.67484615  0.00000000  1.0
  B  B4  1  0.12080168  0.62080168  0.00000000  1.0
  B  B5  1  0.87919832  0.37919832  0.00000000  1.0
  B  B6  1  0.62080168  0.87919832  0.00000000  1.0
  B  B7  1  0.37919832  0.12080168  0.00000000  1.0
  Mo  Mo8  1  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo9  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru10  1  0.21498053  0.07055377  0.50000000  1.0
  Ru  Ru11  1  0.78501947  0.92944623  0.50000000  1.0
  Ru  Ru12  1  0.07055377  0.78501947  0.50000000  1.0
  Ru  Ru13  1  0.71498053  0.42944623  0.50000000  1.0
  Ru  Ru14  1  0.92944623  0.21498053  0.50000000  1.0
  Ru  Ru15  1  0.28501947  0.57055377  0.50000000  1.0
  Ru  Ru16  1  0.57055377  0.71498053  0.50000000  1.0
  Ru  Ru17  1  0.42944623  0.28501947  0.50000000  1.0
  Ru  Ru18  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0