data_ScZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.83
_cell_angle_alpha   100.16
_cell_angle_beta   100.16
_cell_angle_gamma   32.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnRe2
_chemical_formula_sum   'Sc1 Zn1 Re2'
_cell_volume   63.87
_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  Sc2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.32  0.0  0.38  1.0
  Re  Re0  1  0.01  0.0  0.23  1.0
  Re  Re1  1  0.63  0.0  0.52  1.0

data_ScZnRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.83
_cell_length_c   4.97
_cell_angle_alpha   100.16
_cell_angle_beta   106.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnRe2
_chemical_formula_sum   'Sc1 Zn1 Re2'
_cell_volume   63.87
_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
  Zn  Zn1  1  0.0  0.38  0.32  1.0
  Re  Re2  1  0.0  0.23  0.01  1.0
  Re  Re3  1  0.0  0.52  0.63  1.0

Sc Zn Re Re