# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38537000
_cell_length_b   6.21914366
_cell_length_c   10.09405808
_cell_angle_alpha   89.63778733
_cell_angle_beta   89.86961783
_cell_angle_gamma   89.29136034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li8 Cu4 P4 O16'
_cell_volume   338.04069842
_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  0.15212500  0.99901800  0.25221900  1
  Li  Li1  1  0.15844600  0.00018300  0.75517600  1
  Li  Li2  1  0.32763100  0.25078800  0.50193500  1
  Li  Li3  1  0.32977300  0.24436600  0.00166400  1
  Li  Li4  1  0.67387700  0.25805300  0.75503700  1
  Li  Li5  1  0.66968900  0.24754600  0.25117100  1
  Li  Li6  1  0.84723300  0.49929600  0.00342400  1
  Li  Li7  1  0.67759700  0.74712700  0.75790100  1
  Cu  Cu8  1  0.80495700  0.50894500  0.49919100  1
  Cu  Cu9  1  0.65666600  0.74380700  0.25992200  1
  Cu  Cu10  1  0.34371700  0.74195900  0.49689100  1
  Cu  Cu11  1  0.33515900  0.76075700  0.00061200  1
  P  P12  1  0.82643600  0.00545600  0.99787400  1
  P  P13  1  0.83139600  0.00943600  0.50556400  1
  P  P14  1  0.17687700  0.49567600  0.75350100  1
  P  P15  1  0.17290400  0.48872800  0.24635300  1
  O  O16  1  0.82756200  0.00657500  0.35119500  1
  O  O17  1  0.10255900  0.01505000  0.55682100  1
  O  O18  1  0.82557300  0.00581700  0.84399400  1
  O  O19  1  0.09690100  0.01255400  0.05325200  1
  O  O20  1  0.68009800  0.20819900  0.55714400  1
  O  O21  1  0.68207300  0.20519600  0.05167800  1
  O  O22  1  0.31641800  0.29217600  0.80763000  1
  O  O23  1  0.31708300  0.29015000  0.30247000  1
  O  O24  1  0.17749500  0.48735100  0.09292600  1
  O  O25  1  0.89754200  0.48040600  0.29385100  1
  O  O26  1  0.17980900  0.48850300  0.59916800  1
  O  O27  1  0.90406700  0.49955000  0.80528200  1
  O  O28  1  0.28724700  0.70543800  0.29508200  1
  O  O29  1  0.31444900  0.70486200  0.79636400  1
  O  O30  1  0.70155300  0.80611600  0.56514000  1
  O  O31  1  0.70508800  0.79091700  0.04697700  1
