# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77373400
_cell_length_b   6.11628915
_cell_length_c   9.23422936
_cell_angle_alpha   76.39650355
_cell_angle_beta   79.36723015
_cell_angle_gamma   78.10091352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   306.94927575
_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  0.66606800  0.36528600  0.89120800  1
  Li  Li1  1  0.17315800  0.47260000  0.75676600  1
  Li  Li2  1  0.82684200  0.52740000  0.24323400  1
  Li  Li3  1  0.33393200  0.63471400  0.10879200  1
  Cu  Cu4  1  0.30615500  0.94326900  0.77824200  1
  Cu  Cu5  1  0.77800400  0.15595400  0.58906000  1
  Cu  Cu6  1  0.22199600  0.84404600  0.41094000  1
  Cu  Cu7  1  0.69384500  0.05673100  0.22175800  1
  P  P8  1  0.81517100  0.83478500  0.91372300  1
  P  P9  1  0.67710200  0.70479000  0.54010400  1
  P  P10  1  0.32289800  0.29521000  0.45989600  1
  P  P11  1  0.18482900  0.16521500  0.08627700  1
  O  O12  1  0.63562100  0.69195400  0.89274100  1
  O  O13  1  0.08015200  0.71420800  0.87403200  1
  O  O14  1  0.22732700  0.15111200  0.91756600  1
  O  O15  1  0.78031200  0.08064500  0.81511600  1
  O  O16  1  0.84987800  0.84610400  0.57143600  1
  O  O17  1  0.40837600  0.77305000  0.61154000  1
  O  O18  1  0.77445800  0.45704700  0.61186200  1
  O  O19  1  0.32908900  0.25740500  0.63073700  1
  O  O20  1  0.67091100  0.74259500  0.36926300  1
  O  O21  1  0.22554200  0.54295300  0.38813800  1
  O  O22  1  0.59162400  0.22695000  0.38846000  1
  O  O23  1  0.15012200  0.15389600  0.42856400  1
  O  O24  1  0.21968800  0.91935500  0.18488400  1
  O  O25  1  0.77267300  0.84888800  0.08243400  1
  O  O26  1  0.91984800  0.28579200  0.12596800  1
  O  O27  1  0.36437900  0.30804600  0.10725900  1
