# generated using pymatgen
data_LiCuPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41210900
_cell_length_b   5.00183000
_cell_length_c   8.45866205
_cell_angle_alpha   86.53289228
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPCO7
_chemical_formula_sum   'Li2 Cu2 P2 C2 O14'
_cell_volume   270.79202595
_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  0.01329500  0.21946200  0.24826200  1
  Li  Li1  1  0.51329500  0.78053800  0.75173800  1
  Cu  Cu2  1  0.74587400  0.79229500  0.33892600  1
  Cu  Cu3  1  0.24587400  0.20770500  0.66107400  1
  P  P4  1  0.25301000  0.71894800  0.42478100  1
  P  P5  1  0.75301000  0.28105200  0.57521900  1
  C  C6  1  0.74687300  0.72507600  0.06049900  1
  C  C7  1  0.24687300  0.27492400  0.93950100  1
  O  O8  1  0.56666400  0.17575300  0.67715000  1
  O  O9  1  0.75175200  0.95829700  0.12263200  1
  O  O10  1  0.26392900  0.46853600  0.82853600  1
  O  O11  1  0.76392900  0.53146400  0.17146400  1
  O  O12  1  0.43652800  0.78870800  0.31268800  1
  O  O13  1  0.76986400  0.15498100  0.41320800  1
  O  O14  1  0.93652800  0.21129200  0.68731200  1
  O  O15  1  0.26986400  0.84501900  0.58679200  1
  O  O16  1  0.06666400  0.82424700  0.32285000  1
  O  O17  1  0.23194600  0.40877200  0.46062800  1
  O  O18  1  0.72346600  0.69215300  0.91774900  1
  O  O19  1  0.22346600  0.30784700  0.08225100  1
  O  O20  1  0.73194600  0.59122800  0.53937200  1
  O  O21  1  0.25175200  0.04170300  0.87736800  1
