data_Be2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Ru
_chemical_formula_sum   'Be4 Ru2'
_cell_volume   59.19
_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
  Be  Be0  1  0.0  0.0  0.26  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.94  0.12  0.39  1.0
  Be  Be3  1  0.0  0.24  0.13  1.0
  Ru  Ru4  1  0.94  0.12  0.13  1.0
  Ru  Ru5  1  0.0  0.24  0.39  1.0

data_Be2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Ru
_chemical_formula_sum   'Be4 Ru2'
_cell_volume   59.19
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.26  1.0
  Be  Be2  1  0.0  0.24  0.13  1.0
  Be  Be3  1  0.94  0.12  0.39  1.0
  Ru  Ru4  1  0.0  0.24  0.39  1.0
  Ru  Ru5  1  0.94  0.12  0.13  1.0

Be Be Be Be Ru Ru
Be Be Be Be Ru Ru 0 4 - o o 0 2 - o o 1 4 - o o 2 5 + o o 3 4 - o o 