data_ScTaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.36
_cell_length_c   2.95
_cell_angle_alpha   78.79
_cell_angle_beta   78.16
_cell_angle_gamma   23.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaCd
_chemical_formula_sum   'Sc1 Ta1 Cd1'
_cell_volume   61.37
_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  Sc1  1  0.05  0.11  0.54  1.0
  Ta  Ta2  1  0.05  0.11  0.66  1.0
  Cd  Cd0  1  0.05  0.11  0.1  1.0

data_ScTaCd
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.95
_cell_length_b   14.15
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   ScTaCd
_chemical_formula_sum   'Sc2 Ta2 Cd2'
_cell_volume   122.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.41  1.0
  Ta  Ta1  2  0.0  0.0  0.29  1.0
  Cd  Cd2  2  0.0  0.0  0.85  1.0

Sc Ta Cd
Sc Ta Cd 0 1 o o o 0 2 o o o 1 2 o o + 