data_ScRe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.48
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   103.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Sb
_chemical_formula_sum   'Sc1 Re2 Sb1'
_cell_volume   71.67
_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
  Sc  Sc3  1  0.75  0.0  0.85  1.0
  Re  Re0  1  0.94  0.24  0.22  1.0
  Re  Re1  1  0.8  0.0  0.09  1.0
  Sb  Sb2  1  0.35  0.24  0.65  1.0

data_ScRe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.48
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   103.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Sb
_chemical_formula_sum   'Sc1 Re2 Sb1'
_cell_volume   71.67
_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
  Sc  Sc0  1  0.75  0.0  0.85  1.0
  Re  Re1  1  0.8  0.0  0.09  1.0
  Re  Re2  1  0.94  0.24  0.22  1.0
  Sb  Sb3  1  0.35  0.24  0.65  1.0

Sc Re Re Sb
Sc Re Re Sb 0 2 o o + 0 3 o o o 1 2 o o o 