# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86136800
_cell_length_b   7.65980800
_cell_length_c   8.99804800
_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   335.06162257
_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  0.96242300  0.04142700  0.63022000  1
  Li  Li1  1  0.46242300  0.45857300  0.13022000  1
  Li  Li2  1  0.96242300  0.54142700  0.86978000  1
  Li  Li3  1  0.46242300  0.95857300  0.36978000  1
  Cu  Cu4  1  0.96543500  0.16528200  0.04241000  1
  Cu  Cu5  1  0.46543500  0.33471800  0.54241000  1
  Cu  Cu6  1  0.96543500  0.66528200  0.45759000  1
  Cu  Cu7  1  0.46543500  0.83471800  0.95759000  1
  P  P8  1  0.55834400  0.22866300  0.85459000  1
  P  P9  1  0.05834400  0.27133700  0.35459000  1
  P  P10  1  0.55834400  0.72866300  0.64541000  1
  P  P11  1  0.05834400  0.77133700  0.14541000  1
  O  O12  1  0.66536100  0.05359200  0.93218000  1
  O  O13  1  0.20484800  0.13550100  0.46051600  1
  O  O14  1  0.24845200  0.25091300  0.84894600  1
  O  O15  1  0.68713700  0.22550100  0.69638900  1
  O  O16  1  0.18713700  0.27449900  0.19638900  1
  O  O17  1  0.74845200  0.24908700  0.34894600  1
  O  O18  1  0.70484800  0.36449900  0.96051600  1
  O  O19  1  0.16536100  0.44640800  0.43218000  1
  O  O20  1  0.66536100  0.55359200  0.56782000  1
  O  O21  1  0.20484800  0.63550100  0.03948400  1
  O  O22  1  0.24845200  0.75091300  0.65105400  1
  O  O23  1  0.68713700  0.72550100  0.80361100  1
  O  O24  1  0.18713700  0.77449900  0.30361100  1
  O  O25  1  0.74845200  0.74908700  0.15105400  1
  O  O26  1  0.70484800  0.86449900  0.53948400  1
  O  O27  1  0.16536100  0.94640800  0.06782000  1
