# generated using pymatgen
data_Ba2LiSmCoCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82766800
_cell_length_b   4.00234100
_cell_length_c   12.73785900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiSmCoCu2O7
_chemical_formula_sum   'Ba2 Li1 Sm1 Co1 Cu2 O7'
_cell_volume   195.13931962
_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  0.52173000  0.21424200  1
  Ba  Ba1  1  0.50000000  0.52173000  0.78575800  1
  Li  Li2  1  0.50000000  0.35533500  0.00000000  1
  Sm  Sm3  1  0.50000000  0.50567100  0.50000000  1
  Co  Co4  1  0.00000000  0.94518600  0.00000000  1
  Cu  Cu5  1  0.00000000  0.00766500  0.37857900  1
  Cu  Cu6  1  0.00000000  0.00766500  0.62142100  1
  O  O7  1  0.50000000  0.00592500  0.38175100  1
  O  O8  1  0.50000000  0.00592500  0.61824900  1
  O  O9  1  0.00000000  0.97460400  0.14463000  1
  O  O10  1  0.00000000  0.97460400  0.85537000  1
  O  O11  1  0.00000000  0.50683800  0.38035600  1
  O  O12  1  0.00000000  0.50683800  0.61964400  1
  O  O13  1  0.00000000  0.46028200  0.00000000  1
