# generated using pymatgen
data_Li3Fe4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64030487
_cell_length_b   8.83092832
_cell_length_c   8.72625787
_cell_angle_alpha   60.35242479
_cell_angle_beta   59.98166425
_cell_angle_gamma   89.75254776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(PO4)6
_chemical_formula_sum   'Li3 Fe4 P6 O24'
_cell_volume   474.16718433
_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  0.34728000  0.55482300  0.61666000  1
  Li  Li1  1  0.03093400  0.05019000  0.60523900  1
  Li  Li2  1  0.74129300  0.34294500  0.36124900  1
  Fe  Fe3  1  0.35209200  0.07094000  0.79985300  1
  Fe  Fe4  1  0.85414200  0.56893900  0.78841000  1
  Fe  Fe5  1  0.64795400  0.93386700  0.20199600  1
  Fe  Fe6  1  0.15601600  0.43542600  0.20106700  1
  P  P7  1  0.53132100  0.74149900  0.71777400  1
  P  P8  1  0.24682300  0.75602400  0.28471500  1
  P  P9  1  0.75558100  0.24140700  0.71709900  1
  P  P10  1  0.04105200  0.25851200  0.99629700  1
  P  P11  1  0.47463100  0.25540900  0.28090100  1
  P  P12  1  0.95542400  0.75254100  0.00258800  1
  O  O13  1  0.12100300  0.92802300  0.87312900  1
  O  O14  1  0.02747000  0.44573100  0.84563300  1
  O  O15  1  0.49053500  0.89873200  0.74498500  1
  O  O16  1  0.05875100  0.72815700  0.48012300  1
  O  O17  1  0.37048400  0.55530400  0.90346100  1
  O  O18  1  0.23437300  0.26256100  0.83007300  1
  O  O19  1  0.28890900  0.94397200  0.09193700  1
  O  O20  1  0.54798900  0.77217000  0.51860900  1
  O  O21  1  0.72346000  0.74026100  0.69107800  1
  O  O22  1  0.94708800  0.76524800  0.82152500  1
  O  O23  1  0.39904900  0.74902300  0.33029000  1
  O  O24  1  0.23670300  0.60333000  0.24937700  1
  O  O25  1  0.75940200  0.39943900  0.74619800  1
  O  O26  1  0.03761000  0.25775300  0.17619900  1
  O  O27  1  0.59921100  0.24116200  0.67805300  1
  O  O28  1  0.27733600  0.25710800  0.32519900  1
  O  O29  1  0.72606600  0.05395600  0.90277200  1
  O  O30  1  0.47422900  0.21845100  0.47432400  1
  O  O31  1  0.76764200  0.74754000  0.17512300  1
  O  O32  1  0.63518600  0.44207200  0.09134700  1
  O  O33  1  0.93879000  0.27231300  0.51652300  1
  O  O34  1  0.50681300  0.09968900  0.24708500  1
  O  O35  1  0.97861100  0.56863500  0.13701500  1
  O  O36  1  0.87782800  0.08949300  0.11347000  1
