# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88504300
_cell_length_b   7.74842100
_cell_length_c   8.52996900
_cell_angle_alpha   90.00000000
_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   322.87101072
_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  0.43010000  0.51240000  0.19446400  1
  Li  Li1  1  0.43010000  0.01240000  0.30553600  1
  Li  Li2  1  0.93010000  0.98760000  0.69446400  1
  Li  Li3  1  0.93010000  0.48760000  0.80553600  1
  Cu  Cu4  1  0.95261100  0.84176500  0.04598500  1
  Cu  Cu5  1  0.95261100  0.34176500  0.45401500  1
  Cu  Cu6  1  0.45261100  0.65823500  0.54598500  1
  Cu  Cu7  1  0.45261100  0.15823500  0.95401500  1
  P  P8  1  0.98501200  0.25651700  0.07453000  1
  P  P9  1  0.98501200  0.75651700  0.42547000  1
  P  P10  1  0.48501200  0.24348300  0.57453000  1
  P  P11  1  0.48501200  0.74348300  0.92547000  1
  O  O12  1  0.25392700  0.36135000  0.04745700  1
  O  O13  1  0.31721100  0.73538600  0.08021800  1
  O  O14  1  0.11974500  0.06770500  0.09206900  1
  O  O15  1  0.81075900  0.30988900  0.21447700  1
  O  O16  1  0.81075900  0.80988900  0.28552300  1
  O  O17  1  0.11974500  0.56770500  0.40793100  1
  O  O18  1  0.31721100  0.23538600  0.41978200  1
  O  O19  1  0.25392700  0.86135000  0.45254300  1
  O  O20  1  0.75392700  0.13865000  0.54745700  1
  O  O21  1  0.81721100  0.76461400  0.58021800  1
  O  O22  1  0.61974500  0.43229500  0.59206900  1
  O  O23  1  0.31075900  0.19011100  0.71447700  1
  O  O24  1  0.31075900  0.69011100  0.78552300  1
  O  O25  1  0.61974500  0.93229500  0.90793100  1
  O  O26  1  0.81721100  0.26461400  0.91978200  1
  O  O27  1  0.75392700  0.63865000  0.95254300  1
