# generated using pymatgen
data_Ba2LiSmCoCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94343342
_cell_length_b   4.15259000
_cell_length_c   11.69898200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.18471187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiSmCoCu2O7
_chemical_formula_sum   'Ba2 Li1 Sm1 Co1 Cu2 O7'
_cell_volume   191.48009347
_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  0.51136000  0.51123200  0.17609900  1
  Ba  Ba1  1  0.51136000  0.51123200  0.82390100  1
  Li  Li2  1  0.84355900  0.83970500  0.50000000  1
  Sm  Sm3  1  0.43420500  0.41778400  0.50000000  1
  Co  Co4  1  0.00415200  0.00644500  0.00000000  1
  Cu  Cu5  1  0.01458700  0.01666000  0.33186600  1
  Cu  Cu6  1  0.01458700  0.01666000  0.66813400  1
  O  O7  1  0.51135300  0.98986400  0.37474300  1
  O  O8  1  0.51135300  0.98986400  0.62525700  1
  O  O9  1  0.00441300  0.00393800  0.15467300  1
  O  O10  1  0.00441300  0.00393800  0.84532700  1
  O  O11  1  0.98413900  0.51116800  0.37504700  1
  O  O12  1  0.98413900  0.51116800  0.62495400  1
  O  O13  1  0.99971100  0.50367500  0.00000000  1
