# generated using pymatgen
data_ScBe8Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38775825
_cell_length_b   4.38775806
_cell_length_c   7.26946419
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe8Ru3
_chemical_formula_sum   'Sc1 Be8 Ru3'
_cell_volume   121.20441061
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.43490247  1.0
  Be  Be1  1  0.00000000  0.00000000  0.50605793  1.0
  Be  Be2  1  0.00000000  0.00000000  0.00113206  1.0
  Be  Be3  1  0.82934274  0.17065726  0.23442307  1.0
  Be  Be4  1  0.82934274  0.65868547  0.23442307  1.0
  Be  Be5  1  0.34131453  0.17065726  0.23442307  1.0
  Be  Be6  1  0.16761088  0.83238912  0.76289933  1.0
  Be  Be7  1  0.16761088  0.33522075  0.76289933  1.0
  Be  Be8  1  0.66477925  0.83238912  0.76289933  1.0
  Ru  Ru9  1  0.66666700  0.33333300  0.56856556  1.0
  Ru  Ru10  1  0.66666700  0.33333300  0.93423069  1.0
  Ru  Ru11  1  0.33333300  0.66666700  0.06314609  1.0