# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79814700
_cell_length_b   6.17298000
_cell_length_c   10.30721200
_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   305.28792558
_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  0.46466100  0.75000000  0.21822000  1
  Li  Li1  1  0.96466100  0.25000000  0.28178000  1
  Li  Li2  1  0.03533900  0.75000000  0.71822000  1
  Li  Li3  1  0.53533900  0.25000000  0.78178000  1
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu5  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu6  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1
  P  P8  1  0.39373600  0.25000000  0.09584000  1
  P  P9  1  0.89373600  0.75000000  0.40416000  1
  P  P10  1  0.10626400  0.25000000  0.59584000  1
  P  P11  1  0.60626400  0.75000000  0.90416000  1
  O  O12  1  0.73550600  0.75000000  0.04802300  1
  O  O13  1  0.71128600  0.25000000  0.10043700  1
  O  O14  1  0.26073900  0.04201500  0.15509500  1
  O  O15  1  0.26073900  0.45798500  0.15509500  1
  O  O16  1  0.76073900  0.54201500  0.34490500  1
  O  O17  1  0.76073900  0.95798500  0.34490500  1
  O  O18  1  0.21128600  0.75000000  0.39956300  1
  O  O19  1  0.23550600  0.25000000  0.45197700  1
  O  O20  1  0.76449400  0.75000000  0.54802300  1
  O  O21  1  0.78871400  0.25000000  0.60043700  1
  O  O22  1  0.23926100  0.04201500  0.65509500  1
  O  O23  1  0.23926100  0.45798500  0.65509500  1
  O  O24  1  0.73926100  0.54201500  0.84490500  1
  O  O25  1  0.73926100  0.95798500  0.84490500  1
  O  O26  1  0.28871400  0.75000000  0.89956300  1
  O  O27  1  0.26449400  0.25000000  0.95197700  1
