# generated using pymatgen
data_LiCu2PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46718200
_cell_length_b   6.27816381
_cell_length_c   10.35286361
_cell_angle_alpha   90.15938437
_cell_angle_beta   90.11656889
_cell_angle_gamma   92.00139025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2PO4
_chemical_formula_sum   'Li4 Cu8 P4 O16'
_cell_volume   355.13133133
_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  0.84359400  0.00001200  0.24675200  1
  Li  Li1  1  0.67493700  0.24546800  0.49536700  1
  Li  Li2  1  0.67207600  0.25712000  0.00314900  1
  Li  Li3  1  0.32608700  0.25461200  0.24903000  1
  Cu  Cu4  1  0.76575700  0.99845100  0.75221500  1
  Cu  Cu5  1  0.34687600  0.22342900  0.76093300  1
  Cu  Cu6  1  0.23151300  0.51434900  0.98887400  1
  Cu  Cu7  1  0.23191800  0.50535100  0.48868500  1
  Cu  Cu8  1  0.35003300  0.77087500  0.74830200  1
  Cu  Cu9  1  0.34931200  0.70801900  0.23040800  1
  Cu  Cu10  1  0.65617700  0.74504700  0.49625800  1
  Cu  Cu11  1  0.64676700  0.72491700  0.99547700  1
  P  P12  1  0.15472000  0.01404700  0.01039600  1
  P  P13  1  0.16252200  0.00977300  0.49399500  1
  P  P14  1  0.82012300  0.49051700  0.25134900  1
  P  P15  1  0.83651400  0.49467600  0.74756000  1
  O  O16  1  0.15481100  0.00745100  0.64424000  1
  O  O17  1  0.89856300  0.01277700  0.43785700  1
  O  O18  1  0.16980700  0.00571700  0.15957800  1
  O  O19  1  0.88613500  0.01939800  0.96264700  1
  O  O20  1  0.31709700  0.20809000  0.44337300  1
  O  O21  1  0.31016400  0.21471200  0.96151100  1
  O  O22  1  0.67740700  0.29097100  0.19648200  1
  O  O23  1  0.69648900  0.29452100  0.68784000  1
  O  O24  1  0.82200300  0.48962000  0.89757100  1
  O  O25  1  0.10485700  0.50002700  0.69934500  1
  O  O26  1  0.81332900  0.49035600  0.40120600  1
  O  O27  1  0.08969600  0.48196700  0.20280200  1
  O  O28  1  0.70342900  0.69604600  0.69586700  1
  O  O29  1  0.70950100  0.70572300  0.20105300  1
  O  O30  1  0.29589000  0.80892900  0.44249000  1
  O  O31  1  0.28189600  0.81703400  0.94998100  1
