data_Sc2CdRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdRe
_chemical_formula_sum   'Sc2 Cd1 Re1'
_cell_volume   79.12
_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  0.29  1.0
  Sc  Sc3  1  0.72  0.0  0.31  1.0
  Cd  Cd0  1  0.0  0.0  0.75  1.0
  Re  Re1  1  0.72  0.0  0.41  1.0

data_Sc2CdRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdRe
_chemical_formula_sum   'Sc2 Cd1 Re1'
_cell_volume   79.12
_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  0.29  1.0
  Sc  Sc1  1  0.72  0.0  0.31  1.0
  Cd  Cd2  1  0.0  0.0  0.75  1.0
  Re  Re3  1  0.72  0.0  0.41  1.0

Sc Sc Cd Re
Sc Sc Cd Re 0 1 - o o 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 - o o 