data_Sc2CdFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   132.44
_cell_angle_beta   132.44
_cell_angle_gamma   69.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdFe
_chemical_formula_sum   'Sc2 Cd1 Fe1'
_cell_volume   73.58
_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  0.08  0.12  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.08  0.0  0.12  1.0
  Fe  Fe1  1  0.0  0.0  0.24  1.0

data_Sc2CdFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.16
_cell_angle_alpha   113.78
_cell_angle_beta   113.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdFe
_chemical_formula_sum   'Sc2 Cd1 Fe1'
_cell_volume   73.58
_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
  Sc  Sc1  1  0.96  0.08  0.96  1.0
  Cd  Cd2  1  0.88  0.0  0.96  1.0
  Fe  Fe3  1  0.76  0.0  0.76  1.0

Sc Sc Cd Fe
Sc Sc Cd Fe 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 2 3 o o o 