# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09408300
_cell_length_b   7.98880900
_cell_length_c   8.58259183
_cell_angle_alpha   82.24546905
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   346.08017336
_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  0.44029100  0.96162600  0.91818900  1
  Li  Li1  1  0.52899700  0.44899400  0.69081500  1
  Li  Li2  1  0.02899700  0.55100600  0.30918500  1
  Li  Li3  1  0.94029100  0.03837400  0.08181100  1
  Cu  Cu4  1  0.02001000  0.81870600  0.59128400  1
  Cu  Cu5  1  0.44217400  0.59146700  0.09154600  1
  Cu  Cu6  1  0.94217400  0.40853300  0.90845400  1
  Cu  Cu7  1  0.52001000  0.18129400  0.40871600  1
  P  P8  1  0.53376900  0.78404500  0.39637600  1
  P  P9  1  0.94136500  0.72550400  0.95763400  1
  P  P10  1  0.44136500  0.27449600  0.04236600  1
  P  P11  1  0.03376900  0.21595500  0.60362400  1
  O  O12  1  0.53928900  0.97122300  0.32052600  1
  O  O13  1  0.38263200  0.75906800  0.55550200  1
  O  O14  1  0.23238800  0.77361300  0.97380700  1
  O  O15  1  0.76232300  0.86548000  0.99509500  1
  O  O16  1  0.81892400  0.71342900  0.42906500  1
  O  O17  1  0.88794000  0.66437600  0.79492800  1
  O  O18  1  0.38790600  0.67347700  0.28811100  1
  O  O19  1  0.88990900  0.55930500  0.07958200  1
  O  O20  1  0.38990900  0.44069500  0.92041800  1
  O  O21  1  0.88790600  0.32652300  0.71188900  1
  O  O22  1  0.38794000  0.33562400  0.20507200  1
  O  O23  1  0.31892400  0.28657100  0.57093500  1
  O  O24  1  0.26232300  0.13452000  0.00490500  1
  O  O25  1  0.73238800  0.22638700  0.02619300  1
  O  O26  1  0.88263200  0.24093200  0.44449800  1
  O  O27  1  0.03928900  0.02877700  0.67947400  1
