# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87858772
_cell_length_b   4.87858772
_cell_length_c   16.38515714
_cell_angle_alpha   89.80311366
_cell_angle_beta   89.80311366
_cell_angle_gamma   91.62758734
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   389.81479577
_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  0.38874100  0.83740700  0.93738300  1
  Li  Li1  1  0.16259300  0.61125900  0.56261700  1
  Li  Li2  1  0.83740700  0.38874100  0.43738300  1
  Li  Li3  1  0.61125900  0.16259300  0.06261700  1
  Cu  Cu4  1  0.66497700  0.83430100  0.75029600  1
  Cu  Cu5  1  0.83430100  0.66497700  0.25029600  1
  Cu  Cu6  1  0.16569900  0.33502300  0.74970400  1
  Cu  Cu7  1  0.33502300  0.16569900  0.24970400  1
  P  P8  1  0.68888600  0.35442900  0.63571600  1
  P  P9  1  0.64557100  0.31111400  0.86428400  1
  P  P10  1  0.35442900  0.68888600  0.13571600  1
  P  P11  1  0.31111400  0.64557100  0.36428400  1
  O  O12  1  0.86565100  0.53440500  0.69983700  1
  O  O13  1  0.53440500  0.86565100  0.19983700  1
  O  O14  1  0.95067700  0.25453300  0.84714600  1
  O  O15  1  0.56815800  0.61683300  0.85029800  1
  O  O16  1  0.78513200  0.43637900  0.55103500  1
  O  O17  1  0.25453300  0.95067700  0.34714600  1
  O  O18  1  0.61683300  0.56815800  0.35029800  1
  O  O19  1  0.43637900  0.78513200  0.05103500  1
  O  O20  1  0.56362100  0.21486800  0.94896500  1
  O  O21  1  0.38316700  0.43184200  0.64970200  1
  O  O22  1  0.74546700  0.04932300  0.65285400  1
  O  O23  1  0.21486800  0.56362100  0.44896500  1
  O  O24  1  0.43184200  0.38316700  0.14970200  1
  O  O25  1  0.04932300  0.74546700  0.15285400  1
  O  O26  1  0.46559500  0.13434900  0.80016300  1
  O  O27  1  0.13434900  0.46559500  0.30016300  1
