# generated using pymatgen
data_BaSm2CuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80520200
_cell_length_b   7.38547000
_cell_length_c   12.47526000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSm2CuO5
_chemical_formula_sum   'Ba4 Sm8 Cu4 O20'
_cell_volume   534.86610883
_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
  Ba  Ba0  1  0.25000000  0.56843200  0.40615600  1.0
  Ba  Ba1  1  0.75000000  0.43156800  0.59384400  1.0
  Ba  Ba2  1  0.75000000  0.06843200  0.09384400  1.0
  Ba  Ba3  1  0.25000000  0.93156800  0.90615600  1.0
  Sm  Sm4  1  0.25000000  0.10474700  0.57415600  1.0
  Sm  Sm5  1  0.75000000  0.89525300  0.42584400  1.0
  Sm  Sm6  1  0.75000000  0.60474700  0.92584400  1.0
  Sm  Sm7  1  0.25000000  0.39525300  0.07415600  1.0
  Sm  Sm8  1  0.25000000  0.38825900  0.78733300  1.0
  Sm  Sm9  1  0.75000000  0.61174100  0.21266700  1.0
  Sm  Sm10  1  0.75000000  0.88825900  0.71266700  1.0
  Sm  Sm11  1  0.25000000  0.11174100  0.28733300  1.0
  Cu  Cu12  1  0.25000000  0.78130100  0.16095100  1.0
  Cu  Cu13  1  0.75000000  0.21869900  0.83904900  1.0
  Cu  Cu14  1  0.75000000  0.28130100  0.33904900  1.0
  Cu  Cu15  1  0.25000000  0.71869900  0.66095100  1.0
  O  O16  1  0.25000000  0.42135300  0.59790000  1.0
  O  O17  1  0.75000000  0.57864700  0.40210000  1.0
  O  O18  1  0.75000000  0.92135300  0.90210000  1.0
  O  O19  1  0.25000000  0.07864700  0.09790000  1.0
  O  O20  1  0.00676400  0.85052900  0.27211900  1.0
  O  O21  1  0.50676400  0.14947100  0.72788100  1.0
  O  O22  1  0.99323600  0.35052900  0.22788100  1.0
  O  O23  1  0.49323600  0.64947100  0.77211900  1.0
  O  O24  1  0.99323600  0.14947100  0.72788100  1.0
  O  O25  1  0.49323600  0.85052900  0.27211900  1.0
  O  O26  1  0.00676400  0.64947100  0.77211900  1.0
  O  O27  1  0.50676400  0.35052900  0.22788100  1.0
  O  O28  1  0.49023300  0.66518100  0.06780000  1.0
  O  O29  1  0.99023300  0.33481900  0.93220000  1.0
  O  O30  1  0.50976700  0.16518100  0.43220000  1.0
  O  O31  1  0.00976700  0.83481900  0.56780000  1.0
  O  O32  1  0.99023300  0.16518100  0.43220000  1.0
  O  O33  1  0.49023300  0.83481900  0.56780000  1.0
  O  O34  1  0.00976700  0.66518100  0.06780000  1.0
  O  O35  1  0.50976700  0.33481900  0.93220000  1.0