# generated using pymatgen
data_Li5CuHO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79792300
_cell_length_b   8.80902300
_cell_length_c   10.79350000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5CuHO4
_chemical_formula_sum   'Li40 Cu8 H8 O32'
_cell_volume   836.50818825
_cell_formula_units_Z   8
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  0.58528300  0.97160700  0.20072900  1
  Li  Li1  1  0.91471700  0.97160700  0.20072900  1
  Li  Li2  1  0.07022800  0.07386200  0.42686000  1
  Li  Li3  1  0.42977200  0.07386200  0.42686000  1
  Li  Li4  1  0.75000000  0.07239800  0.44631600  1
  Li  Li5  1  0.25000000  0.11623000  0.98774800  1
  Li  Li6  1  0.56753400  0.11462300  0.98680200  1
  Li  Li7  1  0.93246600  0.11462300  0.98680200  1
  Li  Li8  1  0.57517400  0.20925000  0.65768200  1
  Li  Li9  1  0.92482600  0.20925000  0.65768200  1
  Li  Li10  1  0.07517400  0.29075000  0.15768200  1
  Li  Li11  1  0.42482600  0.29075000  0.15768200  1
  Li  Li12  1  0.06753400  0.38537700  0.48680200  1
  Li  Li13  1  0.43246600  0.38537700  0.48680200  1
  Li  Li14  1  0.75000000  0.38377000  0.48774800  1
  Li  Li15  1  0.25000000  0.42760200  0.94631600  1
  Li  Li16  1  0.57022800  0.42613800  0.92686000  1
  Li  Li17  1  0.92977200  0.42613800  0.92686000  1
  Li  Li18  1  0.08528300  0.52839300  0.70072900  1
  Li  Li19  1  0.41471700  0.52839300  0.70072900  1
  Li  Li20  1  0.58528300  0.47160700  0.29927100  1
  Li  Li21  1  0.91471700  0.47160700  0.29927100  1
  Li  Li22  1  0.07022800  0.57386200  0.07314000  1
  Li  Li23  1  0.42977200  0.57386200  0.07314000  1
  Li  Li24  1  0.75000000  0.57239800  0.05368400  1
  Li  Li25  1  0.25000000  0.61623000  0.51225200  1
  Li  Li26  1  0.56753400  0.61462300  0.51319800  1
  Li  Li27  1  0.93246600  0.61462300  0.51319800  1
  Li  Li28  1  0.57517400  0.70925000  0.84231800  1
  Li  Li29  1  0.92482600  0.70925000  0.84231800  1
  Li  Li30  1  0.07517400  0.79075000  0.34231800  1
  Li  Li31  1  0.42482600  0.79075000  0.34231800  1
  Li  Li32  1  0.06753400  0.88537700  0.01319800  1
  Li  Li33  1  0.43246600  0.88537700  0.01319800  1
  Li  Li34  1  0.75000000  0.88377000  0.01225200  1
  Li  Li35  1  0.25000000  0.92760200  0.55368400  1
  Li  Li36  1  0.92977200  0.92613800  0.57314000  1
  Li  Li37  1  0.57022800  0.92613800  0.57314000  1
  Li  Li38  1  0.08528300  0.02839300  0.79927100  1
  Li  Li39  1  0.41471700  0.02839300  0.79927100  1
  Cu  Cu40  1  0.25000000  0.01574000  0.21821000  1
  Cu  Cu41  1  0.25000000  0.21347500  0.62151000  1
  Cu  Cu42  1  0.75000000  0.28652500  0.12151000  1
  Cu  Cu43  1  0.75000000  0.48426000  0.71821000  1
  Cu  Cu44  1  0.25000000  0.51574000  0.28179000  1
  Cu  Cu45  1  0.25000000  0.71347500  0.87849000  1
  Cu  Cu46  1  0.75000000  0.78652500  0.37849000  1
  Cu  Cu47  1  0.75000000  0.98426000  0.78179000  1
  H  H48  1  0.59668700  0.18498600  0.32066600  1
  H  H49  1  0.90331300  0.18498600  0.32066600  1
  H  H50  1  0.09668700  0.31501400  0.82066600  1
  H  H51  1  0.40331300  0.31501400  0.82066600  1
  H  H52  1  0.59668700  0.68498600  0.17933400  1
  H  H53  1  0.90331300  0.68498600  0.17933400  1
  H  H54  1  0.09668700  0.81501400  0.67933400  1
  H  H55  1  0.40331300  0.81501400  0.67933400  1
  O  O56  1  0.75000000  0.06569300  0.62454800  1
  O  O57  1  0.41280200  0.07566100  0.11496300  1
  O  O58  1  0.08719800  0.07566100  0.11496300  1
  O  O59  1  0.40860300  0.06686200  0.61571600  1
  O  O60  1  0.09139700  0.06686200  0.61571600  1
  O  O61  1  0.75000000  0.07911100  0.10665800  1
  O  O62  1  0.05501000  0.23663000  0.87556400  1
  O  O63  1  0.44499000  0.23663000  0.87556400  1
  O  O64  1  0.55501000  0.26337000  0.37556400  1
  O  O65  1  0.94499000  0.26337000  0.37556400  1
  O  O66  1  0.25000000  0.42088900  0.60665800  1
  O  O67  1  0.59139700  0.43313800  0.11571600  1
  O  O68  1  0.90860300  0.43313800  0.11571600  1
  O  O69  1  0.58719800  0.42433900  0.61496300  1
  O  O70  1  0.91280200  0.42433900  0.61496300  1
  O  O71  1  0.25000000  0.43430700  0.12454800  1
  O  O72  1  0.75000000  0.56569300  0.87545200  1
  O  O73  1  0.08719800  0.57566100  0.38503700  1
  O  O74  1  0.41280200  0.57566100  0.38503700  1
  O  O75  1  0.09139700  0.56686200  0.88428400  1
  O  O76  1  0.40860300  0.56686200  0.88428400  1
  O  O77  1  0.75000000  0.57911100  0.39334200  1
  O  O78  1  0.05501000  0.73663000  0.62443600  1
  O  O79  1  0.44499000  0.73663000  0.62443600  1
  O  O80  1  0.55501000  0.76337000  0.12443600  1
  O  O81  1  0.94499000  0.76337000  0.12443600  1
  O  O82  1  0.25000000  0.92088900  0.89334200  1
  O  O83  1  0.90860300  0.93313800  0.38428400  1
  O  O84  1  0.59139700  0.93313800  0.38428400  1
  O  O85  1  0.91280200  0.92433900  0.88503700  1
  O  O86  1  0.58719800  0.92433900  0.88503700  1
  O  O87  1  0.25000000  0.93430700  0.37545200  1
