data_ScInRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   147.4
_cell_angle_beta   131.21
_cell_angle_gamma   59.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInRe
_chemical_formula_sum   'Sc1 In1 Re1'
_cell_volume   55.95
_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  0.93  1.0
  In  In0  1  0.0  0.0  0.05  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0

data_ScInRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.28
_cell_length_c   5.18
_cell_angle_alpha   114.4
_cell_angle_beta   106.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInRe
_chemical_formula_sum   'Sc1 In1 Re1'
_cell_volume   55.95
_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  0.93  0.93  1.0
  In  In1  1  0.0  0.05  0.05  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0

Sc In Re
Sc In Re 0 2 o o + 1 2 o o o 