data_LiScCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   3.43
_cell_angle_alpha   93.74
_cell_angle_beta   93.74
_cell_angle_gamma   32.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScCl2
_chemical_formula_sum   'Li1 Sc1 Cl2'
_cell_volume   74.64
_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  Li2  1  0.84  0.0  0.01  1.0
  Sc  Sc3  1  0.47  0.0  0.5  1.0
  Cl  Cl0  1  0.39  0.0  0.35  1.0
  Cl  Cl1  1  0.35  0.0  0.28  1.0

data_LiScCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.56
_cell_length_c   6.38
_cell_angle_alpha   106.19
_cell_angle_beta   93.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScCl2
_chemical_formula_sum   'Li1 Sc1 Cl2'
_cell_volume   74.64
_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  0.99  0.0  0.16  1.0
  Sc  Sc1  1  0.5  0.0  0.53  1.0
  Cl  Cl2  1  0.65  0.0  0.61  1.0
  Cl  Cl3  1  0.72  0.0  0.65  1.0

Li Sc Cl Cl