# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54455617
_cell_length_b   8.54455617
_cell_length_c   8.54455612
_cell_angle_alpha   107.73492463
_cell_angle_beta   107.73492463
_cell_angle_gamma   107.73492830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li6 Cu6 P6 O24'
_cell_volume   508.75945905
_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  0.89883200  0.12427800  0.72719300  1
  Li  Li1  1  0.72719300  0.89883200  0.12427800  1
  Li  Li2  1  0.19892000  0.61154400  0.42049200  1
  Li  Li3  1  0.12427800  0.72719300  0.89883200  1
  Li  Li4  1  0.61154400  0.42049200  0.19892000  1
  Li  Li5  1  0.42049200  0.19892000  0.61154400  1
  Cu  Cu6  1  0.53585500  0.93187800  0.76487900  1
  Cu  Cu7  1  0.23358500  0.46072800  0.04214900  1
  Cu  Cu8  1  0.93187800  0.76487900  0.53585500  1
  Cu  Cu9  1  0.04214900  0.23358500  0.46072800  1
  Cu  Cu10  1  0.76487900  0.53585500  0.93187800  1
  Cu  Cu11  1  0.46072800  0.04214900  0.23358500  1
  P  P12  1  0.27906000  0.09556100  0.87673700  1
  P  P13  1  0.78571700  0.38868400  0.57304700  1
  P  P14  1  0.87673700  0.27906000  0.09556100  1
  P  P15  1  0.38868400  0.57304700  0.78571700  1
  P  P16  1  0.57304700  0.78571700  0.38868400  1
  P  P17  1  0.09556100  0.87673700  0.27906000  1
  O  O18  1  0.90486500  0.59839800  0.65599800  1
  O  O19  1  0.65599800  0.90486500  0.59839800  1
  O  O20  1  0.28956300  0.98630200  0.99234200  1
  O  O21  1  0.98630200  0.99234200  0.28956300  1
  O  O22  1  0.07423200  0.77313300  0.39835900  1
  O  O23  1  0.60421900  0.91684200  0.29546500  1
  O  O24  1  0.99234200  0.28956300  0.98630200  1
  O  O25  1  0.39835900  0.07423200  0.77313300  1
  O  O26  1  0.07785100  0.02007100  0.73723600  1
  O  O27  1  0.30100600  0.00506500  0.35691200  1
  O  O28  1  0.91684200  0.29546500  0.60421900  1
  O  O29  1  0.36856300  0.65451900  0.30881000  1
  O  O30  1  0.67343900  0.34853700  0.68154700  1
  O  O31  1  0.65451900  0.30881000  0.36856300  1
  O  O32  1  0.30881000  0.36856300  0.65451900  1
  O  O33  1  0.73723600  0.07785100  0.02007100  1
  O  O34  1  0.77313300  0.39835900  0.07423200  1
  O  O35  1  0.59839800  0.65599800  0.90486500  1
  O  O36  1  0.35691200  0.30100600  0.00506500  1
  O  O37  1  0.29546500  0.60421900  0.91684200  1
  O  O38  1  0.00506500  0.35691200  0.30100600  1
  O  O39  1  0.68154700  0.67343900  0.34853700  1
  O  O40  1  0.34853700  0.68154700  0.67343900  1
  O  O41  1  0.02007100  0.73723600  0.07785100  1
