[CIF]
data_Sc2BeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54211733
_cell_length_b   4.54211733
_cell_length_c   4.54211733
_cell_angle_alpha   122.84141125
_cell_angle_beta   120.39122490
_cell_angle_gamma   87.23628294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeRu
_chemical_formula_sum   'Sc2 Be1 Ru1'
_cell_volume   64.52164779
_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
  Be  Be0  1  0.00000000  0.00000000  0.00000000  1
  Ru  Ru1  1  0.00000000  0.00000000  3.28828161  1
  Sc  Sc2  1  2.17283329  0.00000000  1.65612501  1
  Sc  Sc3  1  -0.00000000  2.25761586  1.63215660  1
[/CIF]
