# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43573022
_cell_length_b   7.43573022
_cell_length_c   9.47296043
_cell_angle_alpha   88.47497809
_cell_angle_beta   88.47497809
_cell_angle_gamma   117.99770191
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li6 Cu6 P6 O24'
_cell_volume   461.84539950
_cell_formula_units_Z   6
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  0.25065300  0.04877700  0.25079300  1
  Li  Li1  1  0.79416200  0.74214700  0.25830300  1
  Li  Li2  1  0.21833100  0.95860200  0.74915300  1
  Li  Li3  1  0.95860200  0.21833100  0.24915300  1
  Li  Li4  1  0.04877700  0.25065300  0.75079300  1
  Li  Li5  1  0.74214700  0.79416200  0.75830300  1
  Cu  Cu6  1  0.44945200  0.39905600  0.46593700  1
  Cu  Cu7  1  0.59202700  0.02057900  0.45821100  1
  Cu  Cu8  1  0.94387000  0.52482600  0.48091400  1
  Cu  Cu9  1  0.02057900  0.59202700  0.95821100  1
  Cu  Cu10  1  0.52482600  0.94387000  0.98091400  1
  Cu  Cu11  1  0.39905600  0.44945200  0.96593700  1
  P  P12  1  0.65805600  0.33269000  0.17284400  1
  P  P13  1  0.99864300  0.00015300  0.00350700  1
  P  P14  1  0.00015300  0.99864300  0.50350700  1
  P  P15  1  0.67824400  0.33731000  0.77298300  1
  P  P16  1  0.33269000  0.65805600  0.67284400  1
  P  P17  1  0.33731000  0.67824400  0.27298300  1
  O  O18  1  0.22182700  0.12365500  0.44108500  1
  O  O19  1  0.44650200  0.29205400  0.12084800  1
  O  O20  1  0.51080000  0.12003400  0.82131000  1
  O  O21  1  0.62863500  0.50482400  0.82735800  1
  O  O22  1  0.82749200  0.54751600  0.12293000  1
  O  O23  1  0.64385000  0.32494000  0.34178000  1
  O  O24  1  0.99570800  0.99746400  0.16563300  1
  O  O25  1  0.99746400  0.99570800  0.66563300  1
  O  O26  1  0.69433700  0.35458800  0.60754600  1
  O  O27  1  0.90518700  0.78205900  0.44508600  1
  O  O28  1  0.71237000  0.16619700  0.12813200  1
  O  O29  1  0.11159700  0.88057000  0.94785700  1
  O  O30  1  0.88677800  0.37343800  0.82768100  1
  O  O31  1  0.88057000  0.11159700  0.44785700  1
  O  O32  1  0.16619700  0.71237000  0.62813200  1
  O  O33  1  0.37343800  0.88677800  0.32768100  1
  O  O34  1  0.12003400  0.51080000  0.32131000  1
  O  O35  1  0.29205400  0.44650200  0.62084800  1
  O  O36  1  0.32494000  0.64385000  0.84178000  1
  O  O37  1  0.35458800  0.69433700  0.10754600  1
  O  O38  1  0.12365500  0.22182700  0.94108500  1
  O  O39  1  0.54751600  0.82749200  0.62293000  1
  O  O40  1  0.50482400  0.62863500  0.32735800  1
  O  O41  1  0.78205900  0.90518700  0.94508600  1
