# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06661000
_cell_length_b   5.38333713
_cell_length_c   6.24296184
_cell_angle_alpha   90.25287112
_cell_angle_beta   90.00471732
_cell_angle_gamma   90.31066505
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li4 Cu2 P2 O8'
_cell_volume   170.27430580
_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  0.99516400  0.67293500  0.24577400  1
  Li  Li1  1  0.49391000  0.32750600  0.25020700  1
  Li  Li2  1  0.99385300  0.15479100  0.50054000  1
  Li  Li3  1  0.49346300  0.32468200  0.74966000  1
  Cu  Cu4  1  0.48896400  0.81971300  0.99836100  1
  Cu  Cu5  1  0.99305200  0.66458500  0.76138300  1
  P  P6  1  0.99791000  0.18349400  0.00493400  1
  P  P7  1  0.49991600  0.83124200  0.49423100  1
  O  O8  1  0.90792000  0.90555700  0.01477600  1
  O  O9  1  0.30484200  0.19965300  0.00043000  1
  O  O10  1  0.89039000  0.31987200  0.20684100  1
  O  O11  1  0.38813100  0.68464000  0.29604600  1
  O  O12  1  0.80768500  0.83023100  0.48729600  1
  O  O13  1  0.39467200  0.10029500  0.49865600  1
  O  O14  1  0.40764900  0.68313800  0.69803400  1
  O  O15  1  0.88507200  0.29766700  0.79283100  1
