data_ScRe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   154.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe5
_chemical_formula_sum   'Sc1 Re5'
_cell_volume   93.37
_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  Sc5  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.54  0.43  0.24  1.0
  Re  Re1  1  0.54  0.57  0.24  1.0
  Re  Re2  1  0.54  0.0  0.24  1.0
  Re  Re3  1  0.54  0.35  0.0  1.0
  Re  Re4  1  0.54  0.65  0.0  1.0

data_ScRe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.48
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   102.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe5
_chemical_formula_sum   'Sc1 Re5'
_cell_volume   93.37
_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  0.0  0.0  1.0
  Re  Re1  1  0.0  0.76  0.46  1.0
  Re  Re2  1  0.35  0.0  0.8  1.0
  Re  Re3  1  0.43  0.76  0.89  1.0
  Re  Re4  1  0.57  0.76  0.03  1.0
  Re  Re5  1  0.65  0.0  0.11  1.0

Sc Re Re Re Re Re