# generated using pymatgen
data_Ba2SmMgCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73093944
_cell_length_b   3.99344865
_cell_length_c   14.02520602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SmMgCu3O7
_chemical_formula_sum   'Ba2 Sm1 Mg1 Cu3 O7'
_cell_volume   208.96596341
_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  0.74079801  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.20942003  1.0
  Sm  Sm2  1  0.50000000  0.50000000  0.48078464  1.0
  Mg  Mg3  1  0.50000000  0.00000000  0.92854771  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.59918634  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.35912607  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.06179731  1.0
  O  O7  1  0.00000000  0.00000000  0.84584128  1.0
  O  O8  1  0.00000000  0.00000000  0.19999763  1.0
  O  O9  1  0.00000000  0.50000000  0.59793960  1.0
  O  O10  1  0.00000000  0.50000000  0.37522599  1.0
  O  O11  1  0.50000000  0.00000000  0.60957745  1.0
  O  O12  1  0.50000000  0.00000000  0.39259565  1.0
  O  O13  1  0.00000000  0.50000000  0.02694029  1.0