data_ScTaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaCd2
_chemical_formula_sum   'Sc1 Ta1 Cd2'
_cell_volume   82.56
_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  0.0  0.61  1.0
  Ta  Ta3  1  0.03  0.0  0.41  1.0
  Cd  Cd0  1  0.0  0.0  0.08  1.0
  Cd  Cd1  1  0.03  0.0  0.09  1.0

data_ScTaCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaCd2
_chemical_formula_sum   'Sc1 Ta1 Cd2'
_cell_volume   82.56
_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  0.61  1.0
  Ta  Ta1  1  0.03  0.0  0.41  1.0
  Cd  Cd2  1  0.0  0.0  0.08  1.0
  Cd  Cd3  1  0.03  0.0  0.09  1.0

Sc Ta Cd Cd