# generated using pymatgen
data_Ba2Sm2Ti2Cu2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92194300
_cell_length_b   3.92194300
_cell_length_c   16.12893100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Sm2Ti2Cu2O11
_chemical_formula_sum   'Ba2 Sm2 Ti2 Cu2 O11'
_cell_volume   248.08936015
_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  0.50000000  0.50000000  0.26592800  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.73407200  1.0
  Sm  Sm2  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm3  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.12330500  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.87669500  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.39611200  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.60388800  1.0
  O  O8  1  0.00000000  0.50000000  0.10932300  1.0
  O  O9  1  0.00000000  0.50000000  0.89067700  1.0
  O  O10  1  0.50000000  0.00000000  0.10932300  1.0
  O  O11  1  0.50000000  0.00000000  0.89067700  1.0
  O  O12  1  0.00000000  0.50000000  0.40675800  1.0
  O  O13  1  0.00000000  0.50000000  0.59324200  1.0
  O  O14  1  0.50000000  0.00000000  0.40675800  1.0
  O  O15  1  0.50000000  0.00000000  0.59324200  1.0
  O  O16  1  0.00000000  0.00000000  0.23930200  1.0
  O  O17  1  0.00000000  0.00000000  0.76069800  1.0
  O  O18  1  0.00000000  0.00000000  0.00000000  1.0