# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15712400
_cell_length_b   5.05224400
_cell_length_c   5.45130066
_cell_angle_alpha   89.64666700
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li4 Cu2 P2 O8'
_cell_volume   169.57198111
_cell_formula_units_Z   2
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  0.00000000  0.50927600  0.84614000  1
  Li  Li1  1  0.25287200  0.50946100  0.32673700  1
  Li  Li2  1  0.50000000  0.00495600  0.15497300  1
  Li  Li3  1  0.74712800  0.50946100  0.32673700  1
  Cu  Cu4  1  0.24137900  0.99606300  0.65881600  1
  Cu  Cu5  1  0.75862100  0.99606300  0.65881600  1
  P  P6  1  0.00000000  0.00497100  0.17544000  1
  P  P7  1  0.50000000  0.50022700  0.83374600  1
  O  O8  1  0.00000000  0.11917200  0.90939300  1
  O  O9  1  0.00000000  0.69673600  0.17798200  1
  O  O10  1  0.20950100  0.11352900  0.30284100  1
  O  O11  1  0.29229900  0.58963500  0.68939900  1
  O  O12  1  0.50000000  0.19228700  0.84745800  1
  O  O13  1  0.50000000  0.61240800  0.09928200  1
  O  O14  1  0.70770100  0.58963500  0.68939900  1
  O  O15  1  0.79049900  0.11352900  0.30284100  1
