# generated using pymatgen
data_Ba2SmMgCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78137600
_cell_length_b   4.16404900
_cell_length_c   13.17894900
_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   207.51355579
_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  0.43661600  0.77239800  1.0
  Ba  Ba1  1  0.50000000  0.43661600  0.22760200  1.0
  Sm  Sm2  1  0.50000000  0.48560100  0.50000000  1.0
  Mg  Mg3  1  0.50000000  0.71249600  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.97943600  0.61435100  1.0
  Cu  Cu5  1  0.00000000  0.97943600  0.38564900  1.0
  Cu  Cu6  1  0.00000000  0.10362400  0.00000000  1.0
  O  O7  1  0.00000000  0.05089500  0.85589000  1.0
  O  O8  1  0.00000000  0.05089500  0.14411000  1.0
  O  O9  1  0.00000000  0.48215700  0.61600200  1.0
  O  O10  1  0.00000000  0.48215700  0.38399800  1.0
  O  O11  1  0.50000000  0.98734900  0.61340200  1.0
  O  O12  1  0.50000000  0.98734900  0.38659800  1.0
  O  O13  1  0.00000000  0.57537100  0.00000000  1.0