data_ScRe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.51
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Cl
_chemical_formula_sum   'Sc1 Re2 Cl1'
_cell_volume   71.82
_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  0.0  0.0  0.67  1.0
  Re  Re1  1  0.49  0.25  0.54  1.0
  Re  Re2  1  0.49  0.25  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScRe2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.51
_cell_length_b   2.98
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScRe2Cl
_chemical_formula_sum   'Sc1 Re2 Cl1'
_cell_volume   71.82
_cell_formula_units_Z   1
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  1  0.0  0.0  0.67  1.0
  Re  Re1  1  0.25  0.5  0.54  1.0
  Re  Re2  1  0.25  0.5  0.81  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Re Re Cl
Sc Re Re Cl 0 1 - o o 0 1 o o o 0 2 - o o 0 2 o o o 0 3 o o + 1 2 o o o 2 3 + o + 2 3 o o + 