# generated using pymatgen
data_Li5Fe3Cu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32605100
_cell_length_b   8.52001360
_cell_length_c   8.75337312
_cell_angle_alpha   61.59745196
_cell_angle_beta   62.17418172
_cell_angle_gamma   62.56329820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe3Cu2(PO4)6
_chemical_formula_sum   'Li5 Fe3 Cu2 P6 O24'
_cell_volume   459.73581385
_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  0.75247300  0.14250200  0.35380200  1
  Li  Li1  1  0.20047100  0.85362700  0.67351900  1
  Li  Li2  1  0.66110800  0.19162200  0.85391500  1
  Li  Li3  1  0.85444800  0.66410100  0.18682000  1
  Li  Li4  1  0.84732400  0.84181900  0.84025600  1
  Fe  Fe5  1  0.14792600  0.14263700  0.14230200  1
  Fe  Fe6  1  0.35301600  0.36030800  0.35233400  1
  Fe  Fe7  1  0.64877400  0.64851900  0.65664300  1
  Cu  Cu8  1  0.00271000  0.00025500  0.99368800  1
  Cu  Cu9  1  0.49207000  0.50226400  0.50374200  1
  P  P10  1  0.75382500  0.44902500  0.05026400  1
  P  P11  1  0.06362400  0.74879900  0.45889900  1
  P  P12  1  0.44260700  0.05158700  0.75633200  1
  P  P13  1  0.25393700  0.54597100  0.96022700  1
  P  P14  1  0.55519800  0.96180200  0.25627200  1
  P  P15  1  0.94145400  0.25384200  0.53359000  1
  O  O16  1  0.10332100  0.33402300  0.46383700  1
  O  O17  1  0.33481900  0.49407700  0.10822900  1
  O  O18  1  0.06158600  0.90917000  0.27107800  1
  O  O19  1  0.52826300  0.10446500  0.33189000  1
  O  O20  1  0.04259300  0.80843600  0.60560100  1
  O  O21  1  0.26172200  0.58906700  0.42909300  1
  O  O22  1  0.24208000  0.06302400  0.91122400  1
  O  O23  1  0.43235300  0.24119300  0.59082200  1
  O  O24  1  0.18715500  0.38604400  0.99941400  1
  O  O25  1  0.60052100  0.41729200  0.24526500  1
  O  O26  1  0.09217200  0.73772300  0.95313500  1
  O  O27  1  0.38716200  0.01876500  0.19260200  1
  O  O28  1  0.59340900  0.02184100  0.82644400  1
  O  O29  1  0.90461000  0.24442400  0.07292800  1
  O  O30  1  0.40238900  0.57689500  0.76205200  1
  O  O31  1  0.82036300  0.60081400  0.02206200  1
  O  O32  1  0.57460100  0.75968100  0.40303500  1
  O  O33  1  0.74694800  0.95089400  0.09266000  1
  O  O34  1  0.73714200  0.40831300  0.57073400  1
  O  O35  1  0.95606300  0.19471600  0.38493100  1
  O  O36  1  0.48591600  0.89089200  0.69290700  1
  O  O37  1  0.94412000  0.09806300  0.72035000  1
  O  O38  1  0.69252800  0.48949900  0.89060000  1
  O  O39  1  0.89720200  0.67900900  0.50950300  1
