# generated using pymatgen
data_LiCu3(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51842600
_cell_length_b   8.12560200
_cell_length_c   8.13307991
_cell_angle_alpha   60.31640514
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu3(CO3)3
_chemical_formula_sum   'Li2 Cu6 C6 O18'
_cell_volume   374.24827800
_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
  Li  Li0  1  0.00000000  0.02530100  0.29735600  1
  Li  Li1  1  0.50000000  0.29564600  0.67944600  1
  Cu  Cu2  1  0.25451300  0.97839500  0.65536900  1
  Cu  Cu3  1  0.74548700  0.97839500  0.65536900  1
  Cu  Cu4  1  0.75573000  0.65327300  0.35732700  1
  Cu  Cu5  1  0.24427000  0.65327300  0.35732700  1
  Cu  Cu6  1  0.25313600  0.37441300  0.99069200  1
  Cu  Cu7  1  0.74686400  0.37441300  0.99069200  1
  C  C8  1  0.00000000  0.67049900  0.66027500  1
  C  C9  1  0.50000000  0.65782400  0.66663000  1
  C  C10  1  0.25031800  0.00684800  0.99889600  1
  C  C11  1  0.74968200  0.00684800  0.99889600  1
  C  C12  1  0.25033600  0.32890900  0.33687700  1
  C  C13  1  0.74966400  0.32890900  0.33687700  1
  O  O14  1  0.77936100  0.92500700  0.17996100  1
  O  O15  1  0.22063900  0.92500700  0.17996100  1
  O  O16  1  0.00000000  0.85714000  0.58648000  1
  O  O17  1  0.50000000  0.83894700  0.59705200  1
  O  O18  1  0.00000000  0.60346300  0.54446400  1
  O  O19  1  0.50000000  0.58329500  0.55527500  1
  O  O20  1  0.74264600  0.90665600  0.91714200  1
  O  O21  1  0.25735400  0.90665600  0.91714200  1
  O  O22  1  0.00000000  0.56111200  0.84045700  1
  O  O23  1  0.50000000  0.54431700  0.84916900  1
  O  O24  1  0.27359400  0.18944100  0.90119200  1
  O  O25  1  0.72640600  0.18944100  0.90119200  1
  O  O26  1  0.25628000  0.50798000  0.22497600  1
  O  O27  1  0.74372000  0.50798000  0.22497600  1
  O  O28  1  0.22411700  0.21734500  0.26681700  1
  O  O29  1  0.77588300  0.21734500  0.26681700  1
  O  O30  1  0.27120400  0.25669200  0.51836100  1
  O  O31  1  0.72879600  0.25669200  0.51836100  1
