data_Sc2ZnRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   141.18
_cell_angle_beta   131.03
_cell_angle_gamma   64.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnRe
_chemical_formula_sum   'Sc2 Zn1 Re1'
_cell_volume   71.77
_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  Sc1  1  0.0  0.0  0.13  1.0
  Sc  Sc2  1  0.0  0.22  0.17  1.0
  Zn  Zn3  1  0.0  0.0  0.39  1.0
  Re  Re0  1  0.78  0.0  0.39  1.0

data_Sc2ZnRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.44
_cell_length_c   5.36
_cell_angle_alpha   114.49
_cell_angle_beta   109.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnRe
_chemical_formula_sum   'Sc2 Zn1 Re1'
_cell_volume   71.77
_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  0.13  0.13  1.0
  Sc  Sc1  1  0.78  0.95  0.95  1.0
  Zn  Zn2  1  0.0  0.39  0.39  1.0
  Re  Re3  1  0.0  0.39  0.61  1.0

Sc Sc Zn Re