data_Sc2FeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   146.63
_cell_angle_beta   131.38
_cell_angle_gamma   60.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeRe
_chemical_formula_sum   'Sc2 Fe1 Re1'
_cell_volume   66.53
_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  0.34  1.0
  Sc  Sc3  1  0.57  0.0  0.51  1.0
  Fe  Fe0  1  0.0  0.0  0.89  1.0
  Re  Re1  1  0.0  0.25  0.14  1.0

data_Sc2FeRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.5
_cell_length_c   5.46
_cell_angle_alpha   114.31
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeRe
_chemical_formula_sum   'Sc2 Fe1 Re1'
_cell_volume   66.53
_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  0.05  0.49  0.05  1.0
  Sc  Sc1  1  0.66  0.66  0.66  1.0
  Fe  Fe2  1  0.11  0.11  0.11  1.0
  Re  Re3  1  0.86  0.11  0.11  1.0

Sc Sc Fe Re