# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04862900
_cell_length_b   6.15167800
_cell_length_c   9.49259900
_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   294.81677267
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Li  Li3  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu4  1  0.95098900  0.75000000  0.65548100  1
  Cu  Cu5  1  0.54901100  0.75000000  0.15548100  1
  Cu  Cu6  1  0.45098900  0.25000000  0.84451900  1
  Cu  Cu7  1  0.04901100  0.25000000  0.34451900  1
  P  P8  1  0.94925700  0.25000000  0.69003300  1
  P  P9  1  0.55074300  0.25000000  0.19003300  1
  P  P10  1  0.44925700  0.75000000  0.80996700  1
  P  P11  1  0.05074300  0.75000000  0.30996700  1
  O  O12  1  0.74526200  0.75000000  0.33308200  1
  O  O13  1  0.83090900  0.04711900  0.61502800  1
  O  O14  1  0.83090900  0.45288100  0.61502800  1
  O  O15  1  0.87189900  0.25000000  0.84938000  1
  O  O16  1  0.62810100  0.25000000  0.34938000  1
  O  O17  1  0.66909100  0.04711900  0.11502800  1
  O  O18  1  0.66909100  0.45288100  0.11502800  1
  O  O19  1  0.75473800  0.75000000  0.83308200  1
  O  O20  1  0.24526200  0.25000000  0.16691800  1
  O  O21  1  0.33090900  0.54711900  0.88497200  1
  O  O22  1  0.33090900  0.95288100  0.88497200  1
  O  O23  1  0.37189900  0.75000000  0.65062000  1
  O  O24  1  0.12810100  0.75000000  0.15062000  1
  O  O25  1  0.16909100  0.95288100  0.38497200  1
  O  O26  1  0.16909100  0.54711900  0.38497200  1
  O  O27  1  0.25473800  0.25000000  0.66691800  1
