data_Be2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.11
_cell_angle_alpha   105.59
_cell_angle_beta   105.59
_cell_angle_gamma   34.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PdRu
_chemical_formula_sum   'Be2 Pd1 Ru1'
_cell_volume   45.78
_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  0.99  0.0  0.73  1.0
  Be  Be1  1  0.12  0.0  0.19  1.0
  Pd  Pd2  1  0.79  0.0  0.69  1.0
  Ru  Ru3  1  0.29  0.0  0.24  1.0

data_Be2PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.11
_cell_length_c   4.56
_cell_angle_alpha   105.59
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PdRu
_chemical_formula_sum   'Be2 Pd1 Ru1'
_cell_volume   45.78
_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  0.19  0.12  1.0
  Be  Be1  1  0.0  0.73  0.99  1.0
  Ru  Ru2  1  0.0  0.24  0.29  1.0
  Pd  Pd3  1  0.0  0.69  0.79  1.0

Be Be Pd Ru