data_ScCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Cd
_chemical_formula_sum   'Sc1 Cr2 Cd1'
_cell_volume   64.6
_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
  Cr  Cr1  1  0.39  0.85  0.35  1.0
  Cr  Cr2  1  0.39  0.15  0.35  1.0
  Cd  Cd0  1  0.77  0.0  0.0  1.0

data_ScCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   114.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Cd
_chemical_formula_sum   'Sc1 Cr2 Cd1'
_cell_volume   64.6
_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
  Cr  Cr1  1  0.35  0.39  0.85  1.0
  Cr  Cr2  1  0.35  0.39  0.15  1.0
  Cd  Cd3  1  -0.0  0.77  0.0  1.0

Sc Cr Cr Cd