# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08725300
_cell_length_b   8.30580700
_cell_length_c   8.69045926
_cell_angle_alpha   70.09214408
_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   345.26081542
_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  0.83911700  0.09409200  0.01971500  1
  Li  Li1  1  0.32415000  0.26789900  0.49498600  1
  Li  Li2  1  0.16088300  0.59409200  0.01971500  1
  Li  Li3  1  0.67585000  0.76789900  0.49498600  1
  Cu  Cu4  1  0.67169900  0.99722700  0.74677800  1
  Cu  Cu5  1  0.81280200  0.33012200  0.27060200  1
  Cu  Cu6  1  0.32830100  0.49722700  0.74677800  1
  Cu  Cu7  1  0.18719800  0.83012200  0.27060200  1
  P  P8  1  0.32704300  0.22236200  0.13678400  1
  P  P9  1  0.83425100  0.37089000  0.63082300  1
  P  P10  1  0.67295700  0.72236200  0.13678400  1
  P  P11  1  0.16574900  0.87089000  0.63082300  1
  O  O12  1  0.19546400  0.06352200  0.11345300  1
  O  O13  1  0.31300100  0.02282400  0.65752300  1
  O  O14  1  0.62697400  0.18813800  0.16362000  1
  O  O15  1  0.20433200  0.26103800  0.28471000  1
  O  O16  1  0.81221900  0.20850400  0.78461900  1
  O  O17  1  0.70663700  0.32615300  0.48717100  1
  O  O18  1  0.80453600  0.56352200  0.11345300  1
  O  O19  1  0.12694100  0.42144100  0.58822600  1
  O  O20  1  0.27184300  0.37958700  0.98219200  1
  O  O21  1  0.68699900  0.52282400  0.65752300  1
  O  O22  1  0.37302600  0.68813800  0.16362000  1
  O  O23  1  0.79566800  0.76103800  0.28471000  1
  O  O24  1  0.18778100  0.70850400  0.78461900  1
  O  O25  1  0.29336300  0.82615300  0.48717100  1
  O  O26  1  0.87305900  0.92144100  0.58822600  1
  O  O27  1  0.72815700  0.87958700  0.98219200  1
