# generated using pymatgen
data_Ba2SmMgCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00189004
_cell_length_b   3.75491560
_cell_length_c   14.58609391
_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   219.18172291
_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  0.77562949  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.08811334  1.0
  Sm  Sm2  1  0.50000000  0.50000000  0.51845876  1.0
  Mg  Mg3  1  0.00000000  0.50000000  0.27472887  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.63747885  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.41475128  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.93798177  1.0
  O  O7  1  0.00000000  0.00000000  0.80459513  1.0
  O  O8  1  0.00000000  0.00000000  0.20803433  1.0
  O  O9  1  0.00000000  0.50000000  0.61041711  1.0
  O  O10  1  0.00000000  0.50000000  0.40756984  1.0
  O  O11  1  0.50000000  0.00000000  0.62898344  1.0
  O  O12  1  0.50000000  0.00000000  0.42036385  1.0
  O  O13  1  0.00000000  0.50000000  0.98400494  1.0