# generated using pymatgen
data_Ba4LiCu(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79005495
_cell_length_b   8.79005495
_cell_length_c   8.79005495
_cell_angle_alpha   141.21939894
_cell_angle_beta   141.21939894
_cell_angle_gamma   56.00641035
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4LiCu(CO5)2
_chemical_formula_sum   'Ba4 Li1 Cu1 C2 O10'
_cell_volume   264.38495277
_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  0.61748500  0.11748500  0.50000000  1
  Ba  Ba1  1  0.88251500  0.38251500  0.50000000  1
  Ba  Ba2  1  0.38251500  0.88251500  0.50000000  1
  Ba  Ba3  1  0.11748500  0.61748500  0.50000000  1
  Li  Li4  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  C  C6  1  0.27159400  0.27159400  0.00000000  1
  C  C7  1  0.72840600  0.72840600  0.00000000  1
  O  O8  1  0.09385200  0.36913200  0.00000000  1
  O  O9  1  0.35646300  0.35646300  0.00000000  1
  O  O10  1  0.63086800  0.63086800  0.72472000  1
  O  O11  1  0.36913200  0.09385200  0.00000000  1
  O  O12  1  0.90614800  0.90614800  0.27528000  1
  O  O13  1  0.22594000  0.77020500  0.00000000  1
  O  O14  1  0.22979500  0.22979500  0.45573500  1
  O  O15  1  0.77406000  0.77406000  0.54426500  1
  O  O16  1  0.77020500  0.22594000  0.00000000  1
  O  O17  1  0.64353700  0.64353700  0.00000000  1
