# generated using pymatgen
data_Li3CuPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27053500
_cell_length_b   5.10766000
_cell_length_c   8.45702108
_cell_angle_alpha   88.62643301
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuPCO7
_chemical_formula_sum   'Li6 Cu2 P2 C2 O14'
_cell_volume   270.78161819
_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  0.50644600  0.01898700  0.00030100  1
  Li  Li1  1  0.18745900  0.44622300  0.18365300  1
  Li  Li2  1  0.43033000  0.44803200  0.50871100  1
  Li  Li3  1  0.93033000  0.55196800  0.49128900  1
  Li  Li4  1  0.68745900  0.55377700  0.81634700  1
  Li  Li5  1  0.00644600  0.98101300  0.99969900  1
  Cu  Cu6  1  0.75112000  0.02565400  0.27469100  1
  Cu  Cu7  1  0.25112000  0.97434600  0.72530900  1
  P  P8  1  0.24866000  0.96164100  0.33886100  1
  P  P9  1  0.74866000  0.03835900  0.66113900  1
  C  C10  1  0.73842800  0.50807000  0.12969800  1
  C  C11  1  0.23842800  0.49193000  0.87030200  1
  O  O12  1  0.72312500  0.34452600  0.01512500  1
  O  O13  1  0.76069600  0.75700000  0.09269000  1
  O  O14  1  0.06222800  0.08172100  0.23549900  1
  O  O15  1  0.44500200  0.01522900  0.23099200  1
  O  O16  1  0.73659100  0.43274700  0.27681700  1
  O  O17  1  0.21239500  0.66590400  0.37076200  1
  O  O18  1  0.27212200  0.11378600  0.49207300  1
  O  O19  1  0.77212200  0.88621400  0.50792700  1
  O  O20  1  0.71239500  0.33409600  0.62923800  1
  O  O21  1  0.23659100  0.56725300  0.72318300  1
  O  O22  1  0.94500200  0.98477100  0.76900800  1
  O  O23  1  0.56222800  0.91827900  0.76450100  1
  O  O24  1  0.26069600  0.24300000  0.90731000  1
  O  O25  1  0.22312500  0.65547400  0.98487500  1
