data_ScCd2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd2Re
_chemical_formula_sum   'Sc1 Cd2 Re1'
_cell_volume   77.32
_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  Sc3  1  0.0  0.0  0.58  1.0
  Cd  Cd0  1  0.74  0.0  0.03  1.0
  Cd  Cd1  1  0.0  0.0  0.97  1.0
  Re  Re2  1  0.74  0.0  0.64  1.0

data_ScCd2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd2Re
_chemical_formula_sum   'Sc1 Cd2 Re1'
_cell_volume   77.32
_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  0.58  1.0
  Cd  Cd1  1  0.0  0.0  0.97  1.0
  Cd  Cd2  1  0.74  0.0  0.03  1.0
  Re  Re3  1  0.74  0.0  0.64  1.0

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