data_Be2ZnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.96
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   91.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnRu
_chemical_formula_sum   'Be2 Zn1 Ru1'
_cell_volume   44.99
_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  0.38  0.48  0.53  1.0
  Be  Be1  1  0.34  0.48  0.73  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.92  0.0  0.63  1.0

data_Be2ZnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.96
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   91.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnRu
_chemical_formula_sum   'Be2 Zn1 Ru1'
_cell_volume   44.99
_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  0.34  0.48  0.73  1.0
  Be  Be1  1  0.38  0.48  0.53  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.92  0.0  0.63  1.0

Be Be Zn Ru
Be Be Zn Ru 0 1 o o o 0 3 o + o 0 3 o o o 0 3 - + o 0 3 - o o 1 2 o + + 1 2 o o + 1 3 o + o 1 3 o o o 1 3 - + o 1 3 - o o 2 3 - o - 