data_ScCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.95
_cell_angle_alpha   100.99
_cell_angle_beta   100.99
_cell_angle_gamma   35.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdFe2
_chemical_formula_sum   'Sc1 Cd1 Fe2'
_cell_volume   65.72
_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  0.0  1.0
  Cd  Cd0  1  0.14  0.0  0.43  1.0
  Fe  Fe1  1  0.72  0.0  0.19  1.0
  Fe  Fe2  1  0.56  0.0  0.66  1.0

data_ScCdFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.86
_cell_length_c   4.95
_cell_angle_alpha   100.99
_cell_angle_beta   90.0
_cell_angle_gamma   107.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdFe2
_chemical_formula_sum   'Sc1 Cd1 Fe2'
_cell_volume   65.72
_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
  Cd  Cd1  1  0.0  0.86  0.57  1.0
  Fe  Fe2  1  0.0  0.28  0.81  1.0
  Fe  Fe3  1  0.0  0.44  0.34  1.0

Sc Cd Fe Fe