data_SrBeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.31
_cell_angle_alpha   101.81
_cell_angle_beta   101.81
_cell_angle_gamma   44.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeRe2
_chemical_formula_sum   'Sr1 Be1 Re2'
_cell_volume   82.89
_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  0.29  0.0  0.01  1.0
  Be  Be0  1  0.73  0.0  0.78  1.0
  Re  Re1  1  0.03  0.0  0.05  1.0
  Re  Re2  1  0.01  0.0  0.39  1.0

data_SrBeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.38
_cell_length_c   6.31
_cell_angle_alpha   101.81
_cell_angle_beta   90.0
_cell_angle_gamma   112.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeRe2
_chemical_formula_sum   'Sr1 Be1 Re2'
_cell_volume   82.89
_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  0.0  0.71  0.99  1.0
  Be  Be1  1  0.0  0.27  0.22  1.0
  Re  Re2  1  0.0  0.97  0.95  1.0
  Re  Re3  1  0.0  0.99  0.61  1.0

Sr Be Re Re