# generated using pymatgen
data_Ba2CaSm2Ti3(CuO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88624700
_cell_length_b   3.88624700
_cell_length_c   20.78108100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaSm2Ti3(CuO7)2
_chemical_formula_sum   'Ba2 Ca1 Sm2 Ti3 Cu2 O14'
_cell_volume   313.85491543
_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  0.33042500  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.66957500  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm3  1  0.50000000  0.50000000  0.10361000  1.0
  Sm  Sm4  1  0.50000000  0.50000000  0.89639000  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.19807300  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.80192700  1.0
  Cu  Cu8  1  0.00000000  0.00000000  0.42803900  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.57196100  1.0
  O  O10  1  0.00000000  0.50000000  0.17841800  1.0
  O  O11  1  0.00000000  0.50000000  0.82158200  1.0
  O  O12  1  0.50000000  0.00000000  0.17841800  1.0
  O  O13  1  0.50000000  0.00000000  0.82158200  1.0
  O  O14  1  0.00000000  0.00000000  0.28383600  1.0
  O  O15  1  0.00000000  0.00000000  0.71616400  1.0
  O  O16  1  0.00000000  0.00000000  0.09254200  1.0
  O  O17  1  0.00000000  0.00000000  0.90745800  1.0
  O  O18  1  0.00000000  0.50000000  0.42375200  1.0
  O  O19  1  0.00000000  0.50000000  0.57624800  1.0
  O  O20  1  0.50000000  0.00000000  0.42375200  1.0
  O  O21  1  0.50000000  0.00000000  0.57624800  1.0
  O  O22  1  0.00000000  0.50000000  0.00000000  1.0
  O  O23  1  0.50000000  0.00000000  0.00000000  1.0