data_BeReRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.68
_cell_angle_alpha   97.68
_cell_angle_beta   97.68
_cell_angle_gamma   35.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReRu2
_chemical_formula_sum   'Be1 Re1 Ru2'
_cell_volume   53.18
_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  0.0  1.0
  Re  Re1  1  0.89  0.0  0.32  1.0
  Ru  Ru2  1  0.16  0.0  0.09  1.0
  Ru  Ru3  1  0.63  0.0  0.55  1.0

data_BeReRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.44
_cell_length_c   4.68
_cell_angle_alpha   97.68
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReRu2
_chemical_formula_sum   'Be1 Re1 Ru2'
_cell_volume   53.18
_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  0.0  1.0
  Re  Re1  1  0.0  0.11  0.68  1.0
  Ru  Ru2  1  0.0  0.37  0.45  1.0
  Ru  Ru3  1  0.0  0.84  0.91  1.0

Be Re Ru Ru