data_ScRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.45
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   102.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe
_chemical_formula_sum   'Sc2 Re2'
_cell_volume   70.04
_cell_formula_units_Z   2
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
  Sc  Sc2  1  0.77  0.11  0.42  1.0
  Sc  Sc3  1  0.97  0.34  0.97  1.0
  Re  Re0  1  0.7  0.34  0.85  1.0
  Re  Re1  1  0.03  0.11  0.54  1.0

data_ScRe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.92
_cell_length_b   4.45
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   102.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScRe
_chemical_formula_sum   'Sc2 Re2'
_cell_volume   70.04
_cell_formula_units_Z   2
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
  Sc  Sc0  2  0.4  0.89  0.23  1.0
  Re  Re1  2  0.33  0.11  0.65  1.0

Sc Sc Re Re