data_ScRe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   3.07
_cell_angle_alpha   105.07
_cell_angle_beta   105.07
_cell_angle_gamma   127.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Cl
_chemical_formula_sum   'Sc1 Re2 Cl1'
_cell_volume   68.97
_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  0.61  0.0  0.0  1.0
  Re  Re1  1  0.4  0.33  0.24  1.0
  Re  Re2  1  0.4  0.67  0.24  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScRe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.21
_cell_length_c   5.94
_cell_angle_alpha   110.7
_cell_angle_beta   104.91
_cell_angle_gamma   90.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Cl
_chemical_formula_sum   'Sc1 Re2 Cl1'
_cell_volume   68.97
_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  0.0  0.39  0.39  1.0
  Re  Re1  1  0.09  0.6  0.94  1.0
  Re  Re2  1  0.43  0.6  0.27  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Re Re Cl