# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05945900
_cell_length_b   6.83575800
_cell_length_c   10.11209700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   349.72927470
_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  0.24241900  0.01201100  0.64705200  1
  Li  Li1  1  0.74241900  0.51201100  0.85294800  1
  Li  Li2  1  0.24241900  0.48798900  0.14705200  1
  Li  Li3  1  0.74241900  0.98798900  0.35294800  1
  Cu  Cu4  1  0.24807200  0.50944600  0.66696200  1
  Cu  Cu5  1  0.74807200  0.00944600  0.83303800  1
  Cu  Cu6  1  0.24807200  0.99055400  0.16696200  1
  Cu  Cu7  1  0.74807200  0.49055400  0.33303800  1
  P  P8  1  0.75088400  0.26685100  0.59443800  1
  P  P9  1  0.25088400  0.76685100  0.90556200  1
  P  P10  1  0.75088400  0.23314900  0.09443800  1
  P  P11  1  0.25088400  0.73314900  0.40556200  1
  O  O12  1  0.19481300  0.74342500  0.55687800  1
  O  O13  1  0.05236800  0.26470300  0.62346500  1
  O  O14  1  0.62386200  0.07846800  0.65329400  1
  O  O15  1  0.63352700  0.45227100  0.66068900  1
  O  O16  1  0.13352700  0.95227100  0.83931100  1
  O  O17  1  0.12386200  0.57846800  0.84670600  1
  O  O18  1  0.55236800  0.76470300  0.87653500  1
  O  O19  1  0.69481300  0.24342500  0.94312200  1
  O  O20  1  0.19481300  0.75657500  0.05687800  1
  O  O21  1  0.05236800  0.23529700  0.12346500  1
  O  O22  1  0.62386200  0.42153200  0.15329400  1
  O  O23  1  0.63352700  0.04772900  0.16068900  1
  O  O24  1  0.13352700  0.54772900  0.33931100  1
  O  O25  1  0.12386200  0.92153200  0.34670600  1
  O  O26  1  0.55236800  0.73529700  0.37653500  1
  O  O27  1  0.69481300  0.25657500  0.44312200  1
