# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42859900
_cell_length_b   6.18804825
_cell_length_c   10.08805713
_cell_angle_alpha   90.03284500
_cell_angle_beta   90.03076053
_cell_angle_gamma   90.33732961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li8 Cu4 P4 O16'
_cell_volume   338.87640004
_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  0.15228500  0.00049700  0.74700600  1
  Li  Li1  1  0.15602600  0.00077500  0.24575700  1
  Li  Li2  1  0.32906200  0.75436800  0.49499000  1
  Li  Li3  1  0.32638000  0.75273600  0.99846700  1
  Li  Li4  1  0.67263000  0.74591300  0.24495700  1
  Li  Li5  1  0.84622600  0.49998400  0.99740700  1
  Li  Li6  1  0.84623800  0.49920800  0.49482700  1
  Li  Li7  1  0.67491100  0.25377200  0.24471000  1
  Cu  Cu8  1  0.65963500  0.74467800  0.75323100  1
  Cu  Cu9  1  0.65905200  0.25624800  0.74943000  1
  Cu  Cu10  1  0.34043100  0.24280800  0.49621900  1
  Cu  Cu11  1  0.33212800  0.24395200  0.99914700  1
  P  P12  1  0.82820200  0.99582200  0.00615100  1
  P  P13  1  0.82990600  0.99532700  0.49232000  1
  P  P14  1  0.17174300  0.50491900  0.24950400  1
  P  P15  1  0.17090900  0.50524300  0.74817100  1
  O  O16  1  0.83960300  0.99973600  0.64765100  1
  O  O17  1  0.09993500  0.98640700  0.43892400  1
  O  O18  1  0.82810300  0.99869100  0.15985800  1
  O  O19  1  0.09541600  0.98631900  0.94853700  1
  O  O20  1  0.68335700  0.79202800  0.44315700  1
  O  O21  1  0.68054100  0.79078600  0.95832000  1
  O  O22  1  0.31239500  0.70853400  0.19524100  1
  O  O23  1  0.30386200  0.71114600  0.69152600  1
  O  O24  1  0.16515200  0.51315400  0.90253200  1
  O  O25  1  0.90569500  0.50194400  0.68848400  1
  O  O26  1  0.17097800  0.51182100  0.40464100  1
  O  O27  1  0.90064500  0.50147000  0.19765300  1
  O  O28  1  0.29900400  0.29069900  0.70268000  1
  O  O29  1  0.31163800  0.29457600  0.20548200  1
  O  O30  1  0.70471200  0.20685600  0.43953200  1
  O  O31  1  0.70320000  0.20958400  0.95608200  1
