# generated using pymatgen
data_LiCuHCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67406436
_cell_length_b   10.67406436
_cell_length_c   5.94376300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuHCO4
_chemical_formula_sum   'Li6 Cu6 H6 C6 O24'
_cell_volume   586.47801988
_cell_formula_units_Z   6
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  0.16132800  0.79563100  0.75000000  1
  Li  Li1  1  0.20436900  0.36569700  0.75000000  1
  Li  Li2  1  0.36569700  0.16132800  0.25000000  1
  Li  Li3  1  0.63430300  0.83867200  0.75000000  1
  Li  Li4  1  0.79563100  0.63430300  0.25000000  1
  Li  Li5  1  0.83867200  0.20436900  0.25000000  1
  Cu  Cu6  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu7  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu8  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu9  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu10  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu11  1  0.50000000  0.00000000  0.00000000  1
  H  H12  1  0.20387600  0.59159600  0.75000000  1
  H  H13  1  0.38772000  0.79612400  0.75000000  1
  H  H14  1  0.40840400  0.61228000  0.75000000  1
  H  H15  1  0.59159600  0.38772000  0.25000000  1
  H  H16  1  0.61228000  0.20387600  0.25000000  1
  H  H17  1  0.79612400  0.40840400  0.25000000  1
  C  C18  1  0.19105600  0.77861300  0.25000000  1
  C  C19  1  0.22138700  0.41244300  0.25000000  1
  C  C20  1  0.58755700  0.80894400  0.25000000  1
  C  C21  1  0.41244300  0.19105600  0.75000000  1
  C  C22  1  0.77861300  0.58755700  0.75000000  1
  C  C23  1  0.80894400  0.22138700  0.75000000  1
  O  O24  1  0.14811800  0.70858500  0.44143000  1
  O  O25  1  0.14811800  0.70858500  0.05857000  1
  O  O26  1  0.27459000  0.91545800  0.25000000  1
  O  O27  1  0.11680000  0.49690100  0.75000000  1
  O  O28  1  0.08454200  0.35913200  0.25000000  1
  O  O29  1  0.38010100  0.88320000  0.75000000  1
  O  O30  1  0.29141500  0.43953300  0.44143000  1
  O  O31  1  0.29141500  0.43953300  0.05857000  1
  O  O32  1  0.56046700  0.85188200  0.05857000  1
  O  O33  1  0.56046700  0.85188200  0.44143000  1
  O  O34  1  0.50309900  0.61989900  0.75000000  1
  O  O35  1  0.64086800  0.72541000  0.25000000  1
  O  O36  1  0.35913200  0.27459000  0.75000000  1
  O  O37  1  0.49690100  0.38010100  0.25000000  1
  O  O38  1  0.43953300  0.14811800  0.55857000  1
  O  O39  1  0.43953300  0.14811800  0.94143000  1
  O  O40  1  0.70858500  0.56046700  0.94143000  1
  O  O41  1  0.70858500  0.56046700  0.55857000  1
  O  O42  1  0.61989900  0.11680000  0.25000000  1
  O  O43  1  0.91545800  0.64086800  0.75000000  1
  O  O44  1  0.88320000  0.50309900  0.25000000  1
  O  O45  1  0.72541000  0.08454200  0.75000000  1
  O  O46  1  0.85188200  0.29141500  0.94143000  1
  O  O47  1  0.85188200  0.29141500  0.55857000  1
