data_BePdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePdRu2
_chemical_formula_sum   'Be1 Pd1 Ru2'
_cell_volume   53.44
_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  0.0  0.0  0.17  1.0
  Pd  Pd1  1  0.4  0.0  0.36  1.0
  Ru  Ru2  1  0.0  0.0  0.27  1.0
  Ru  Ru3  1  0.4  0.0  0.06  1.0

data_BePdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePdRu2
_chemical_formula_sum   'Be1 Pd1 Ru2'
_cell_volume   53.44
_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  0.0  0.0  0.17  1.0
  Ru  Ru1  1  0.0  0.0  0.27  1.0
  Ru  Ru2  1  0.4  0.0  0.06  1.0
  Pd  Pd3  1  0.4  0.0  0.36  1.0

Be Pd Ru Ru
Be Pd Ru Ru 0 2 o o o 0 3 o o o 1 2 o o o 