data_ScCdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   135.07
_cell_angle_beta   129.61
_cell_angle_gamma   69.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdSb2
_chemical_formula_sum   'Sc1 Cd1 Sb2'
_cell_volume   97.07
_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  0.0  0.0  0.65  1.0
  Sb  Sb1  1  0.0  0.41  0.37  1.0
  Sb  Sb2  1  0.17  0.0  0.28  1.0

data_ScCdSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.82
_cell_length_c   5.67
_cell_angle_alpha   115.19
_cell_angle_beta   112.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdSb2
_chemical_formula_sum   'Sc1 Cd1 Sb2'
_cell_volume   97.07
_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  0.65  0.65  1.0
  Sb  Sb2  1  0.0  0.28  0.11  1.0
  Sb  Sb3  1  0.59  0.96  0.96  1.0

Sc Cd Sb Sb