data_BeRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   144.63
_cell_angle_beta   130.04
_cell_angle_gamma   62.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2Ru
_chemical_formula_sum   'Be1 Re2 Ru1'
_cell_volume   53.1
_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  0.5  0.0  0.01  1.0
  Re  Re2  1  0.0  0.09  0.21  1.0
  Ru  Ru3  1  0.0  0.0  0.23  1.0

data_BeRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.18
_cell_length_c   4.95
_cell_angle_alpha   114.98
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2Ru
_chemical_formula_sum   'Be1 Re2 Ru1'
_cell_volume   53.1
_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  0.49  0.99  0.49  1.0
  Re  Re2  1  0.79  0.88  0.88  1.0
  Ru  Ru3  1  0.77  0.77  0.77  1.0

Be Re Re Ru