# generated using pymatgen
data_Ba2LiSmCoCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83036705
_cell_length_b   4.03440583
_cell_length_c   12.68125062
_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   195.96660155
_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  0.11156232  1
  Ba  Ba1  1  0.50000000  0.50000000  0.79818124  1
  Li  Li2  1  0.50000000  0.00000000  0.26720352  1
  Sm  Sm3  1  0.50000000  0.50000000  0.51130388  1
  Co  Co4  1  -0.00000000  0.00000000  0.97773027  1
  Cu  Cu5  1  -0.00000000  0.00000000  0.39983027  1
  Cu  Cu6  1  0.00000000  0.00000000  0.63683256  1
  O  O7  1  0.50000000  0.00000000  0.40434948  1
  O  O8  1  0.50000000  0.00000000  0.62999297  1
  O  O9  1  0.00000000  0.00000000  0.12919732  1
  O  O10  1  0.00000000  0.00000000  0.83958030  1
  O  O11  1  0.00000000  0.50000000  0.39261262  1
  O  O12  1  -0.00000000  0.50000000  0.62989640  1
  O  O13  1  0.00000000  0.50000000  0.97728383  1
