data_BeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   2.8
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRu
_chemical_formula_sum   'Be2 Ru2'
_cell_volume   43.95
_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  0.99  0.0  0.2  1.0
  Be  Be1  1  0.96  0.0  0.78  1.0
  Ru  Ru2  1  0.99  0.4  0.12  1.0
  Ru  Ru3  1  0.96  0.4  0.85  1.0

data_BeRu
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.95
_cell_length_b   2.8
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   BeRu
_chemical_formula_sum   'Be2 Ru2'
_cell_volume   43.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.49  0.0  0.29  1.0
  Ru  Ru1  2  0.49  0.4  0.36  1.0

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