data_BeRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.0
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   103.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2Ru
_chemical_formula_sum   'Be1 Re2 Ru1'
_cell_volume   53.77
_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  0.13  0.0  0.76  1.0
  Re  Re1  1  0.87  1.0  0.85  1.0
  Re  Re2  1  0.75  0.0  0.26  1.0
  Ru  Ru3  1  0.39  1.0  0.56  1.0

data_BeRe2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.71
_cell_length_b   4.0
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   103.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeRe2Ru
_chemical_formula_sum   'Be1 Re2 Ru1'
_cell_volume   53.77
_cell_formula_units_Z   1
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  1  0.13  0.0  0.76  1.0
  Re  Re1  1  0.75  0.0  0.26  1.0
  Re  Re2  1  0.87  0.0  0.85  1.0
  Ru  Ru3  1  0.39  0.0  0.56  1.0

Be Re Re Ru