data_Be3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   4.59
_cell_length_c   6.78
_cell_angle_alpha   59.78
_cell_angle_beta   41.6
_cell_angle_gamma   78.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Ru2
_chemical_formula_sum   'Be6 Ru4'
_cell_volume   101.4
_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  0.51  0.78  0.74  1.0
  Be  Be1  1  0.41  0.23  0.74  1.0
  Be  Be2  1  0.49  0.98  0.9  1.0
  Be  Be3  1  0.39  0.53  0.9  1.0
  Be  Be4  1  0.96  0.5  0.03  1.0
  Be  Be5  1  0.98  0.75  0.19  1.0
  Ru  Ru6  1  0.57  0.11  0.9  1.0
  Ru  Ru7  1  0.35  0.9  0.9  1.0
  Ru  Ru8  1  0.55  0.65  0.07  1.0
  Ru  Ru9  1  0.33  0.86  0.07  1.0

data_Be3Ru2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.98
_cell_angle_alpha   101.39
_cell_angle_beta   101.39
_cell_angle_gamma   119.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Ru2
_chemical_formula_sum   'Be6 Ru4'
_cell_volume   101.4
_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  0.08  0.02  0.83  1.0
  Be  Be1  1  0.18  0.61  0.71  1.0
  Be  Be2  1  0.51  0.04  0.01  1.0
  Be  Be3  1  0.62  0.59  0.85  1.0
  Be  Be4  1  0.63  0.51  0.61  1.0
  Be  Be5  1  0.98  0.49  0.75  1.0
  Ru  Ru6  1  0.42  0.43  0.53  1.0
  Ru  Ru7  1  0.74  0.45  0.39  1.0
  Ru  Ru8  1  0.74  0.67  0.61  1.0
  Ru  Ru9  1  0.85  0.65  0.75  1.0

Be Be Be Be Be Be Ru Ru Ru Ru
Be Be Be Be Be Be Ru Ru Ru Ru 0 3 o o o 0 7 o o o 0 4 - o + 1 7 o - o 1 2 o - o 1 4 - o + 2 9 o o + 2 6 o + o 2 7 o o o 2 8 o o + 3 4 - o + 4 8 o o o 4 5 o o o 5 9 + o o 5 7 + o - 7 9 o o + 8 9 o o o 