data_BeAl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   141.04
_cell_angle_beta   130.43
_cell_angle_gamma   64.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Ru
_chemical_formula_sum   'Be1 Al2 Ru1'
_cell_volume   51.3
_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  Be2  1  0.0  0.0  0.1  1.0
  Al  Al0  1  0.0  0.0  0.01  1.0
  Al  Al1  1  0.59  0.0  0.11  1.0
  Ru  Ru3  1  0.0  0.0  0.9  1.0

data_BeAl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.0
_cell_length_c   4.77
_cell_angle_alpha   114.78
_cell_angle_beta   109.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Ru
_chemical_formula_sum   'Be1 Al2 Ru1'
_cell_volume   51.3
_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  0.9  0.9  0.9  1.0
  Al  Al1  1  0.48  0.89  0.48  1.0
  Al  Al2  1  0.99  0.99  0.99  1.0
  Ru  Ru3  1  0.1  0.1  0.1  1.0

Be Al Al Ru
Be Al Al Ru 0 1 o o o 0 2 - o o 1 3 o o - 1 2 o o o 1 2 - o o 2 3 o o - 