# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09211200
_cell_length_b   5.54060300
_cell_length_c   10.55564904
_cell_angle_alpha   61.62600117
_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   313.49135015
_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  0.36095500  0.22413200  0.92994500  1
  Li  Li1  1  0.86095500  0.77586800  0.57005500  1
  Li  Li2  1  0.13904500  0.22413200  0.42994500  1
  Li  Li3  1  0.63904500  0.77586800  0.07005500  1
  Cu  Cu4  1  0.38614400  0.79450700  0.35761600  1
  Cu  Cu5  1  0.88614400  0.20549300  0.14238400  1
  Cu  Cu6  1  0.11385600  0.79450700  0.85761600  1
  Cu  Cu7  1  0.61385600  0.20549300  0.64238400  1
  P  P8  1  0.35312900  0.64310700  0.63268900  1
  P  P9  1  0.85312900  0.35689300  0.86731100  1
  P  P10  1  0.14687100  0.64310700  0.13268900  1
  P  P11  1  0.64687100  0.35689300  0.36731100  1
  O  O12  1  0.36044900  0.32241100  0.72303800  1
  O  O13  1  0.84453100  0.23541600  0.76295800  1
  O  O14  1  0.56173400  0.72766800  0.53399900  1
  O  O15  1  0.16536200  0.76175300  0.51703900  1
  O  O16  1  0.66536200  0.23824700  0.98296100  1
  O  O17  1  0.06173400  0.27233200  0.96600100  1
  O  O18  1  0.13955100  0.32241100  0.22303800  1
  O  O19  1  0.65546900  0.23541600  0.26295800  1
  O  O20  1  0.34453100  0.76458400  0.73704200  1
  O  O21  1  0.86044900  0.67758900  0.77696200  1
  O  O22  1  0.93826600  0.72766800  0.03399900  1
  O  O23  1  0.33463800  0.76175300  0.01704000  1
  O  O24  1  0.83463800  0.23824700  0.48296100  1
  O  O25  1  0.43826600  0.27233200  0.46600100  1
  O  O26  1  0.15546900  0.76458400  0.23704200  1
  O  O27  1  0.63955100  0.67758900  0.27696200  1
