# generated using pymatgen
data_BaSmMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95628595
_cell_length_b   7.71330786
_cell_length_c   7.92692800
_cell_angle_alpha   90.00007912
_cell_angle_beta   90.00015632
_cell_angle_gamma   89.99998147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSmMn2O5
_chemical_formula_sum   'Ba2 Sm2 Mn4 O10'
_cell_volume   241.89854365
_cell_formula_units_Z   2
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  0.99999948  0.00006403  0.49996360  1.0
  Ba  Ba1  1  0.00000020  0.00006178  0.00003582  1.0
  Sm  Sm2  1  0.00000014  0.50002330  0.50001493  1.0
  Sm  Sm3  1  0.99999927  0.50002112  0.99998509  1.0
  Mn  Mn4  1  0.49999809  0.26387863  0.75000081  1.0
  Mn  Mn5  1  0.50000145  0.26394353  0.25000111  1.0
  Mn  Mn6  1  0.49999942  0.73610027  0.74999955  1.0
  Mn  Mn7  1  0.49999809  0.73609489  0.24999881  1.0
  O  O8  1  0.49999980  0.68883340  0.49996140  1.0
  O  O9  1  0.00000275  0.31168981  0.25000108  1.0
  O  O10  1  0.99999944  0.69030916  0.24999871  1.0
  O  O11  1  0.50000108  0.00000796  0.24999978  1.0
  O  O12  1  0.49999893  0.68883247  0.00003700  1.0
  O  O13  1  0.50000322  0.30922061  0.50001158  1.0
  O  O14  1  0.49999849  0.30921990  0.99999059  1.0
  O  O15  1  0.99999966  0.31154482  0.75000058  1.0
  O  O16  1  0.00000053  0.69019832  0.74999957  1.0
  O  O17  1  0.49999896  0.99995698  0.74999997  1.0