data_LiSc2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.09
_cell_angle_alpha   110.79
_cell_angle_beta   110.79
_cell_angle_gamma   34.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Cd
_chemical_formula_sum   'Li1 Sc2 Cd1'
_cell_volume   86.7
_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
  Li  Li1  1  0.98  0.0  0.16  1.0
  Sc  Sc2  1  0.04  0.0  0.13  1.0
  Sc  Sc3  1  0.25  0.0  0.41  1.0
  Cd  Cd0  1  0.32  0.0  0.4  1.0

data_LiSc2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.09
_cell_length_c   5.72
_cell_angle_alpha   110.79
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Cd
_chemical_formula_sum   'Li1 Sc2 Cd1'
_cell_volume   86.7
_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
  Li  Li0  1  0.0  0.16  0.98  1.0
  Sc  Sc1  1  0.0  0.13  0.04  1.0
  Sc  Sc2  1  0.0  0.41  0.25  1.0
  Cd  Cd3  1  0.0  0.4  0.32  1.0

Li Sc Sc Cd