# generated using pymatgen
data_BaSmCuBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52725900
_cell_length_b   5.52725900
_cell_length_c   7.58966700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSmCuBO5
_chemical_formula_sum   'Ba2 Sm2 Cu2 B2 O10'
_cell_volume   231.86882034
_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  0.00000000  0.00000000  0.00784700  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.00784700  1.0
  Sm  Sm2  1  0.00000000  0.00000000  0.51322400  1.0
  Sm  Sm3  1  0.50000000  0.50000000  0.51322400  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.73194000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.73194000  1.0
  B  B6  1  0.50000000  0.00000000  0.25304700  1.0
  B  B7  1  0.00000000  0.50000000  0.25304700  1.0
  O  O8  1  0.15626300  0.65626300  0.34031800  1.0
  O  O9  1  0.84373700  0.34373700  0.34031800  1.0
  O  O10  1  0.34373700  0.15626300  0.34031800  1.0
  O  O11  1  0.65626300  0.84373700  0.34031800  1.0
  O  O12  1  0.50000000  0.00000000  0.06868500  1.0
  O  O13  1  0.00000000  0.50000000  0.06868500  1.0
  O  O14  1  0.25249500  0.75249500  0.71381000  1.0
  O  O15  1  0.74750500  0.24750500  0.71381000  1.0
  O  O16  1  0.24750500  0.25249500  0.71381000  1.0
  O  O17  1  0.75249500  0.74750500  0.71381000  1.0