# generated using pymatgen
data_BaSm(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48015642
_cell_length_b   5.48015642
_cell_length_c   7.70770282
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSm(FeO3)4
_chemical_formula_sum   'Ba1 Sm1 Fe4 O12'
_cell_volume   231.47861276
_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  -0.00000000  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.00000000  0.50000000  0.74954862  1.0
  Fe  Fe3  1  -0.00000000  0.50000000  0.25045138  1.0
  Fe  Fe4  1  0.50000000  -0.00000000  0.25045138  1.0
  Fe  Fe5  1  0.50000000  0.00000000  0.74954862  1.0
  O  O6  1  0.23834760  0.23834760  0.26444476  1.0
  O  O7  1  0.23834760  0.23834760  0.73555524  1.0
  O  O8  1  0.76165240  0.76165240  0.73555524  1.0
  O  O9  1  0.76165240  0.76165240  0.26444476  1.0
  O  O10  1  0.76165240  0.23834760  0.73555524  1.0
  O  O11  1  0.76165240  0.23834760  0.26444476  1.0
  O  O12  1  0.23834760  0.76165240  0.73555524  1.0
  O  O13  1  0.23834760  0.76165240  0.26444476  1.0
  O  O14  1  -0.00000000  0.50000000  0.50000000  1.0
  O  O15  1  -0.00000000  0.50000000  -0.00000000  1.0
  O  O16  1  0.50000000  -0.00000000  0.50000000  1.0
  O  O17  1  0.50000000  -0.00000000  -0.00000000  1.0