data_Ba2Sm(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Sm(CuO2)3
_chemical_formula_sum   'Ba2 Sm1 Cu3 O6'
_cell_volume   185.78
_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
  Ba  Ba0  1  0.95  0.95  0.37  1.0
  Ba  Ba1  1  0.95  0.95  0.79  1.0
  Sm  Sm2  1  0.95  0.95  0.08  1.0
  Cu  Cu3  1  0.0  0.0  0.41  1.0
  Cu  Cu4  1  0.0  0.0  0.0  1.0
  Cu  Cu5  1  0.0  0.0  0.75  1.0
  O  O6  1  0.95  0.0  0.57  1.0
  O  O7  1  0.0  0.95  0.57  1.0
  O  O8  1  0.95  0.0  0.59  1.0
  O  O9  1  0.0  0.0  0.81  1.0
  O  O10  1  0.0  0.0  0.35  1.0
  O  O11  1  0.0  0.95  0.59  1.0

data_Ba2Sm(CuO2)3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2Sm(CuO2)3
_chemical_formula_sum   'Ba4 Sm2 Cu6 O12'
_cell_volume   371.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.45  0.5  0.37  1.0
  Ba  Ba1  2  0.45  0.5  0.79  1.0
  Sm  Sm2  2  0.45  0.5  0.08  1.0
  Cu  Cu3  2  0.0  0.0  0.0  1.0
  Cu  Cu4  2  0.0  0.0  0.41  1.0
  Cu  Cu5  2  0.0  0.0  0.75  1.0
  O  O6  4  0.48  0.48  0.57  1.0
  O  O7  4  0.48  0.48  0.59  1.0
  O  O8  2  0.0  0.0  0.35  1.0
  O  O9  2  0.0  0.0  0.81  1.0

Ba Ba Sm Cu Cu Cu O O O O O O