# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65704400
_cell_length_b   7.59471900
_cell_length_c   8.03025000
_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   345.00892711
_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  0.71467300  0.94956100  0.76868800  1
  Li  Li1  1  0.21467300  0.55043900  0.26868800  1
  Li  Li2  1  0.71467300  0.44956100  0.73131200  1
  Li  Li3  1  0.21467300  0.05043900  0.23131200  1
  Cu  Cu4  1  0.21895300  0.22006000  0.57865800  1
  Cu  Cu5  1  0.71895300  0.27994000  0.07865800  1
  Cu  Cu6  1  0.21895300  0.72006000  0.92134200  1
  Cu  Cu7  1  0.71895300  0.77994000  0.42134200  1
  P  P8  1  0.72392300  0.19060700  0.44937900  1
  P  P9  1  0.22392300  0.30939300  0.94937900  1
  P  P10  1  0.72392300  0.69060700  0.05062100  1
  P  P11  1  0.22392300  0.80939300  0.55062100  1
  O  O12  1  0.68574600  0.00837200  0.53459600  1
  O  O13  1  0.48510700  0.28828900  0.42976000  1
  O  O14  1  0.84846300  0.16882200  0.27687300  1
  O  O15  1  0.88413500  0.29988600  0.57041000  1
  O  O16  1  0.38413500  0.20011400  0.07041000  1
  O  O17  1  0.34846300  0.33117800  0.77687300  1
  O  O18  1  0.98510700  0.21171100  0.92976000  1
  O  O19  1  0.18574600  0.49162800  0.03459600  1
  O  O20  1  0.68574600  0.50837200  0.96540400  1
  O  O21  1  0.48510700  0.78828900  0.07024000  1
  O  O22  1  0.84846300  0.66882200  0.22312700  1
  O  O23  1  0.88413500  0.79988600  0.92959000  1
  O  O24  1  0.38413500  0.70011400  0.42959000  1
  O  O25  1  0.34846300  0.83117800  0.72312700  1
  O  O26  1  0.98510700  0.71171100  0.57024000  1
  O  O27  1  0.18574600  0.99162800  0.46540400  1
