# generated using pymatgen
data_Li3Fe4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41980400
_cell_length_b   8.59965932
_cell_length_c   8.83213988
_cell_angle_alpha   93.29115043
_cell_angle_beta   106.59508132
_cell_angle_gamma   105.52144155
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(PO4)6
_chemical_formula_sum   'Li3 Fe4 P6 O24'
_cell_volume   445.49908166
_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  0.74120900  0.71196100  0.29237200  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.25879100  0.28803900  0.70762800  1
  Fe  Fe3  1  0.12939400  0.36371400  0.06072700  1
  Fe  Fe4  1  0.62861300  0.06061800  0.37288200  1
  Fe  Fe5  1  0.37138700  0.93938200  0.62711800  1
  Fe  Fe6  1  0.87060600  0.63628600  0.93927300  1
  P  P7  1  0.64548100  0.34768500  0.14527700  1
  P  P8  1  0.24618200  0.71033700  0.28533800  1
  P  P9  1  0.12886600  0.13866500  0.34612300  1
  P  P10  1  0.87113400  0.86133500  0.65387700  1
  P  P11  1  0.75381800  0.28966300  0.71466200  1
  P  P12  1  0.35451900  0.65231500  0.85472300  1
  O  O13  1  0.81873300  0.39173900  0.04795100  1
  O  O14  1  0.41458800  0.35044700  0.02813100  1
  O  O15  1  0.61392300  0.17355100  0.18810700  1
  O  O16  1  0.46831900  0.82745100  0.27059000  1
  O  O17  1  0.02727400  0.73468900  0.16976900  1
  O  O18  1  0.11591300  0.17753200  0.17652500  1
  O  O19  1  0.73740700  0.47675400  0.29255700  1
  O  O20  1  0.90424400  0.01165000  0.34388200  1
  O  O21  1  0.25604900  0.53383200  0.25305500  1
  O  O22  1  0.32384700  0.05675700  0.40701300  1
  O  O23  1  0.83501400  0.71204700  0.53542800  1
  O  O24  1  0.23163400  0.73722100  0.45792200  1
  O  O25  1  0.76836600  0.26277900  0.54207800  1
  O  O26  1  0.16498600  0.28795300  0.46457200  1
  O  O27  1  0.67615300  0.94324300  0.59298700  1
  O  O28  1  0.74395100  0.46616800  0.74694500  1
  O  O29  1  0.09575600  0.98835000  0.65611800  1
  O  O30  1  0.26259300  0.52324600  0.70744300  1
  O  O31  1  0.88408700  0.82246800  0.82347500  1
  O  O32  1  0.97272600  0.26531100  0.83023100  1
  O  O33  1  0.53168100  0.17254900  0.72941000  1
  O  O34  1  0.38607700  0.82644900  0.81189300  1
  O  O35  1  0.58541200  0.64955300  0.97186900  1
  O  O36  1  0.18126700  0.60826100  0.95204900  1
