# generated using pymatgen
data_LiCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.34858600
_cell_length_b   4.91335100
_cell_length_c   9.39135365
_cell_angle_alpha   61.37284435
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuP2O7
_chemical_formula_sum   'Li4 Cu4 P8 O28'
_cell_volume   540.64856590
_cell_formula_units_Z   4
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  0.37078200  0.96950500  0.36134400  1
  Li  Li1  1  0.87078200  0.03049500  0.13865600  1
  Li  Li2  1  0.12921800  0.96950500  0.86134400  1
  Li  Li3  1  0.62921800  0.03049500  0.63865600  1
  Cu  Cu4  1  0.84870600  0.06592200  0.73907500  1
  Cu  Cu5  1  0.34870600  0.93407800  0.76092500  1
  Cu  Cu6  1  0.65129400  0.06592200  0.23907500  1
  Cu  Cu7  1  0.15129400  0.93407800  0.26092500  1
  P  P8  1  0.83136900  0.74605100  0.53138200  1
  P  P9  1  0.16863100  0.25394900  0.46861800  1
  P  P10  1  0.97410700  0.51603600  0.77682200  1
  P  P11  1  0.02589300  0.48396400  0.22317800  1
  P  P12  1  0.47410700  0.48396400  0.72317800  1
  P  P13  1  0.66863100  0.74605100  0.03138200  1
  P  P14  1  0.33136900  0.25394900  0.96861800  1
  P  P15  1  0.52589300  0.51603600  0.27682200  1
  O  O16  1  0.94863800  0.68451700  0.58199100  1
  O  O17  1  0.57750500  0.60925400  0.69655600  1
  O  O18  1  0.71617700  0.84568000  0.15138100  1
  O  O19  1  0.21617700  0.15432000  0.34861900  1
  O  O20  1  0.28382300  0.15432000  0.84861900  1
  O  O21  1  0.32165100  0.02249900  0.14456200  1
  O  O22  1  0.45771100  0.22748100  0.67159100  1
  O  O23  1  0.88913200  0.26585900  0.85787500  1
  O  O24  1  0.07750500  0.39074600  0.80344400  1
  O  O25  1  0.11086800  0.73414100  0.14212500  1
  O  O26  1  0.54228900  0.77251900  0.32840900  1
  O  O27  1  0.28534900  0.57419800  0.92771700  1
  O  O28  1  0.05136200  0.31548300  0.41800900  1
  O  O29  1  0.17834900  0.02249900  0.64456200  1
  O  O30  1  0.78534900  0.42580200  0.57228300  1
  O  O31  1  0.38913200  0.73414100  0.64212500  1
  O  O32  1  0.71465100  0.42580200  0.07228300  1
  O  O33  1  0.95771100  0.77251900  0.82840900  1
  O  O34  1  0.04228900  0.22748100  0.17159100  1
  O  O35  1  0.78382300  0.84568000  0.65138100  1
  O  O36  1  0.82165100  0.97750100  0.35543800  1
  O  O37  1  0.61086800  0.26585900  0.35787500  1
  O  O38  1  0.67834900  0.97750100  0.85543800  1
  O  O39  1  0.42249500  0.39074600  0.30344400  1
  O  O40  1  0.44863800  0.31548300  0.91800900  1
  O  O41  1  0.21465100  0.57419800  0.42771700  1
  O  O42  1  0.92249500  0.60925400  0.19655600  1
  O  O43  1  0.55136200  0.68451700  0.08199100  1
