data_ScCdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.22
_cell_angle_alpha   118.89
_cell_angle_beta   118.89
_cell_angle_gamma   31.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdCl2
_chemical_formula_sum   'Sc1 Cd1 Cl2'
_cell_volume   110.59
_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  Sc3  1  0.31  0.0  0.85  1.0
  Cd  Cd0  1  0.96  0.0  0.32  1.0
  Cl  Cl1  1  0.92  0.0  0.02  1.0
  Cl  Cl2  1  0.03  0.0  0.26  1.0

data_ScCdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   6.22
_cell_length_c   6.24
_cell_angle_alpha   118.89
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdCl2
_chemical_formula_sum   'Sc1 Cd1 Cl2'
_cell_volume   110.59
_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  0.85  0.31  1.0
  Cd  Cd1  1  0.0  0.32  0.96  1.0
  Cl  Cl2  1  0.0  0.02  0.92  1.0
  Cl  Cl3  1  0.0  0.26  0.03  1.0

Sc Cd Cl Cl