data_SrBeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.47
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeRe2
_chemical_formula_sum   'Sr1 Be1 Re2'
_cell_volume   69.32
_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
  Sr  Sr3  1  0.58  0.24  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.24  0.45  1.0
  Re  Re2  1  0.58  0.0  0.45  1.0

data_SrBeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.47
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeRe2
_chemical_formula_sum   'Sr1 Be1 Re2'
_cell_volume   69.32
_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
  Sr  Sr0  1  0.58  0.24  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  -0.0  0.24  0.45  1.0
  Re  Re3  1  0.58  0.0  0.45  1.0

Sr Be Re Re
Sr Be Re Re 0 1 + o o 2 3 - o o 