data_ScCd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   147.25
_cell_angle_beta   147.25
_cell_angle_gamma   46.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd4
_chemical_formula_sum   'Sc1 Cd4'
_cell_volume   117.26
_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  Sc4  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.08  0.0  0.38  1.0
  Cd  Cd1  1  0.0  0.0  0.42  1.0
  Cd  Cd2  1  0.0  0.0  0.12  1.0
  Cd  Cd3  1  0.0  0.08  0.38  1.0

data_ScCd4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   113.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCd4
_chemical_formula_sum   'Sc2 Cd8'
_cell_volume   234.52
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  4  0.34  0.04  0.3  1.0
  Cd  Cd2  2  0.12  0.0  0.12  1.0
  Cd  Cd3  2  0.42  0.0  0.42  1.0

Sc Cd Cd Cd Cd