data_LiSmO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   6.0
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSmO2
_chemical_formula_sum   'Li4 Sm4 O8'
_cell_volume   181.81
_cell_formula_units_Z   4
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  0.45  0.85  0.69  1.0
  Li  Li1  1  0.55  0.85  0.99  1.0
  Li  Li2  1  0.88  0.14  0.66  1.0
  Li  Li3  1  0.78  0.15  0.37  1.0
  Sm  Sm12  1  0.71  0.4  0.66  1.0
  Sm  Sm13  1  0.29  0.39  0.02  1.0
  Sm  Sm14  1  0.62  0.6  0.7  1.0
  Sm  Sm15  1  0.04  0.6  0.33  1.0
  O  O4  1  0.55  0.57  0.59  1.0
  O  O5  1  0.44  0.57  0.09  1.0
  O  O6  1  0.77  0.43  0.77  1.0
  O  O7  1  0.89  0.43  0.26  1.0
  O  O8  1  0.47  0.77  0.9  1.0
  O  O9  1  0.18  0.77  0.13  1.0
  O  O10  1  0.85  0.22  0.46  1.0
  O  O11  1  0.14  0.22  0.22  1.0

data_LiSmO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.52
_cell_length_b   5.66
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiSmO2
_chemical_formula_sum   'Li4 Sm4 O8'
_cell_volume   181.81
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.62  0.65  1.0
  Li  Li1  2  0.49  0.71  0.65  1.0
  Sm  Sm2  2  0.16  0.88  0.1  1.0
  Sm  Sm3  2  0.48  0.54  0.9  1.0
  O  O4  2  0.04  0.98  0.73  1.0
  O  O5  2  0.09  0.72  0.93  1.0
  O  O6  2  0.28  0.69  0.72  1.0
  O  O7  2  0.41  0.39  0.07  1.0

Li Li Li Li Sm Sm Sm Sm O O O O O O O O