data_LiScCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScCl2
_chemical_formula_sum   'Li1 Sc1 Cl2'
_cell_volume   80.47
_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  0.0  0.0  0.27  1.0
  Sc  Sc3  1  0.31  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.28  1.0
  Cl  Cl1  1  0.31  0.0  0.43  1.0

data_LiScCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScCl2
_chemical_formula_sum   'Li1 Sc1 Cl2'
_cell_volume   80.47
_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  0.0  0.27  1.0
  Sc  Sc1  1  0.31  0.0  0.81  1.0
  Cl  Cl2  1  0.0  0.0  0.28  1.0
  Cl  Cl3  1  0.31  0.0  0.43  1.0

Li Sc Cl Cl