data_ScTaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   134.59
_cell_angle_beta   134.59
_cell_angle_gamma   66.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaCd2
_chemical_formula_sum   'Sc1 Ta1 Cd2'
_cell_volume   82.27
_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  0.0  1.0
  Ta  Ta3  1  0.12  0.0  0.3  1.0
  Cd  Cd0  1  0.0  0.0  0.59  1.0
  Cd  Cd1  1  0.0  0.12  0.3  1.0

data_ScTaCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.48
_cell_angle_alpha   112.71
_cell_angle_beta   112.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaCd2
_chemical_formula_sum   'Sc1 Ta1 Cd2'
_cell_volume   82.27
_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
  Ta  Ta1  1  0.7  0.0  0.82  1.0
  Cd  Cd2  1  0.41  0.0  0.41  1.0
  Cd  Cd3  1  0.82  0.12  0.82  1.0

Sc Ta Cd Cd
Sc Ta Cd Cd 0 3 o o o 0 1 o o o 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o o 