# generated using pymatgen
data_Li6Fe3Cu(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52490300
_cell_length_b   8.57576936
_cell_length_c   8.58605241
_cell_angle_alpha   61.71305759
_cell_angle_beta   61.81324718
_cell_angle_gamma   61.81381441
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe3Cu(PO4)6
_chemical_formula_sum   'Li6 Fe3 Cu1 P6 O24'
_cell_volume   461.55421327
_cell_formula_units_Z   1
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  0.02459800  0.00299400  0.99210800  1
  Li  Li1  1  0.75492200  0.14852400  0.34925000  1
  Li  Li2  1  0.47444000  0.50609900  0.49417300  1
  Li  Li3  1  0.22008100  0.84861100  0.65852100  1
  Li  Li4  1  0.66188900  0.21954700  0.84718800  1
  Li  Li5  1  0.84550400  0.66250500  0.21773500  1
  Fe  Fe6  1  0.14572800  0.14517200  0.13607000  1
  Fe  Fe7  1  0.35387600  0.36319000  0.35399000  1
  Fe  Fe8  1  0.64645200  0.64612800  0.64811300  1
  Cu  Cu9  1  0.85307000  0.85152300  0.85221800  1
  P  P10  1  0.05061800  0.75010900  0.45321100  1
  P  P11  1  0.45268100  0.05169200  0.74775600  1
  P  P12  1  0.74892100  0.45549700  0.04958800  1
  P  P13  1  0.24884800  0.54471500  0.95587300  1
  P  P14  1  0.54656400  0.96132600  0.24980700  1
  P  P15  1  0.95321800  0.24806400  0.53950100  1
  O  O16  1  0.12331000  0.30199800  0.48944500  1
  O  O17  1  0.31314800  0.50580400  0.11372200  1
  O  O18  1  0.04003300  0.92250800  0.27312300  1
  O  O19  1  0.52992200  0.11573200  0.30677200  1
  O  O20  1  0.24450000  0.59714900  0.42173900  1
  O  O21  1  0.03239700  0.79814200  0.61580800  1
  O  O22  1  0.26381500  0.06383400  0.90847400  1
  O  O23  1  0.44373600  0.23822800  0.58168800  1
  O  O24  1  0.59544600  0.42651800  0.24549400  1
  O  O25  1  0.19348200  0.38297200  0.99125900  1
  O  O26  1  0.08170200  0.73420400  0.95117500  1
  O  O27  1  0.37205200  0.00707200  0.20680600  1
  O  O28  1  0.61568100  0.02832700  0.80091400  1
  O  O29  1  0.90658600  0.26208500  0.06532100  1
  O  O30  1  0.80341000  0.61463400  0.02828500  1
  O  O31  1  0.40020700  0.57859800  0.75863000  1
  O  O32  1  0.57737900  0.76329400  0.40037800  1
  O  O33  1  0.73173300  0.95151800  0.07795200  1
  O  O34  1  0.96664600  0.20057000  0.38132800  1
  O  O35  1  0.75944300  0.40169800  0.58191600  1
  O  O36  1  0.49485500  0.88872200  0.68757800  1
  O  O37  1  0.95397200  0.07982300  0.72763800  1
  O  O38  1  0.68511700  0.49744000  0.89013200  1
  O  O39  1  0.89001900  0.68243000  0.50032200  1
