data_ScZn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.27
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Cd
_chemical_formula_sum   'Sc1 Zn2 Cd1'
_cell_volume   74.82
_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  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.56  0.64  0.87  1.0
  Zn  Zn3  1  0.56  0.64  0.47  1.0
  Cd  Cd0  1  0.0  0.0  0.67  1.0

data_ScZn2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.27
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Cd
_chemical_formula_sum   'Sc1 Zn2 Cd1'
_cell_volume   74.82
_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
  Zn  Zn1  1  0.56  0.64  0.47  1.0
  Zn  Zn2  1  0.56  0.64  0.87  1.0
  Cd  Cd3  1  0.0  0.0  0.67  1.0

Sc Zn Zn Cd
Sc Zn Zn Cd 0 1 - - - 0 1 o - - 0 1 - o - 0 3 o o - 1 3 o + o 1 3 + + o 1 3 + o o 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 