# generated using pymatgen
data_Li2FePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12431600
_cell_length_b   12.84521700
_cell_length_c   13.21197484
_cell_angle_alpha   61.87728566
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePO5
_chemical_formula_sum   'Li16 Fe8 P8 O40'
_cell_volume   766.98021491
_cell_formula_units_Z   8
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  0.72126300  0.82086900  0.36266000  1
  Li  Li1  1  0.76054400  0.34342300  0.08077800  1
  Li  Li2  1  0.21381900  0.18150800  0.14401800  1
  Li  Li3  1  0.72375600  0.58699500  0.57856700  1
  Li  Li4  1  0.22375600  0.91300500  0.42143300  1
  Li  Li5  1  0.71381900  0.31849200  0.85598200  1
  Li  Li6  1  0.77873700  0.32086900  0.36266000  1
  Li  Li7  1  0.73945600  0.84342300  0.08077800  1
  Li  Li8  1  0.26054400  0.15657700  0.91922200  1
  Li  Li9  1  0.22126300  0.67913100  0.63734000  1
  Li  Li10  1  0.28618100  0.68150800  0.14401800  1
  Li  Li11  1  0.77624400  0.08699500  0.57856700  1
  Li  Li12  1  0.27624400  0.41300500  0.42143300  1
  Li  Li13  1  0.78618100  0.81849200  0.85598200  1
  Li  Li14  1  0.23945600  0.65657700  0.91922200  1
  Li  Li15  1  0.27873700  0.17913100  0.63734000  1
  Fe  Fe16  1  0.72902700  0.12936700  0.06246700  1
  Fe  Fe17  1  0.25739000  0.69005000  0.43424900  1
  Fe  Fe18  1  0.77097300  0.62936700  0.06246700  1
  Fe  Fe19  1  0.75739000  0.80995000  0.56575100  1
  Fe  Fe20  1  0.24261000  0.19005000  0.43424900  1
  Fe  Fe21  1  0.22902700  0.37063300  0.93753300  1
  Fe  Fe22  1  0.74261000  0.30995000  0.56575100  1
  Fe  Fe23  1  0.27097300  0.87063300  0.93753300  1
  P  P24  1  0.22597800  0.92902700  0.16168100  1
  P  P25  1  0.23225200  0.41311300  0.66240500  1
  P  P26  1  0.27402200  0.42902700  0.16168100  1
  P  P27  1  0.73225200  0.08688700  0.33759500  1
  P  P28  1  0.26774800  0.91311300  0.66240500  1
  P  P29  1  0.72597800  0.57097300  0.83831900  1
  P  P30  1  0.76774800  0.58688700  0.33759500  1
  P  P31  1  0.77402200  0.07097300  0.83831900  1
  O  O32  1  0.92841100  0.95376900  0.13351800  1
  O  O33  1  0.02646200  0.22347100  0.99133500  1
  O  O34  1  0.37524900  0.04731800  0.12011800  1
  O  O35  1  0.61627500  0.65322400  0.39113700  1
  O  O36  1  0.26824100  0.85634200  0.29285900  1
  O  O37  1  0.15416700  0.36088000  0.10126000  1
  O  O38  1  0.80490200  0.14546900  0.20826800  1
  O  O39  1  0.93156100  0.40534100  0.64366900  1
  O  O40  1  0.96508800  0.72561000  0.49698000  1
  O  O41  1  0.57158900  0.45376900  0.13351800  1
  O  O42  1  0.47353800  0.72347100  0.99133500  1
  O  O43  1  0.32357600  0.54386500  0.60385500  1
  O  O44  1  0.82357600  0.95613500  0.39614500  1
  O  O45  1  0.12475100  0.54731800  0.12011800  1
  O  O46  1  0.46508800  0.77439000  0.50302000  1
  O  O47  1  0.43156100  0.09465900  0.35633100  1
  O  O48  1  0.88372500  0.15322400  0.39113700  1
  O  O49  1  0.23175900  0.35634200  0.29285900  1
  O  O50  1  0.30490200  0.35453100  0.79173200  1
  O  O51  1  0.65416700  0.13912000  0.89874000  1
  O  O52  1  0.34583300  0.86088000  0.10126000  1
  O  O53  1  0.69509800  0.64546900  0.20826800  1
  O  O54  1  0.76824100  0.64365800  0.70714100  1
  O  O55  1  0.11627500  0.84677600  0.60886300  1
  O  O56  1  0.56843900  0.90534100  0.64366900  1
  O  O57  1  0.53491200  0.22561000  0.49698000  1
  O  O58  1  0.87524900  0.45268200  0.87988200  1
  O  O59  1  0.17642400  0.04386500  0.60385500  1
  O  O60  1  0.67642400  0.45613500  0.39614500  1
  O  O61  1  0.52646200  0.27652900  0.00866500  1
  O  O62  1  0.42841100  0.54623100  0.86648200  1
  O  O63  1  0.03491200  0.27439000  0.50302000  1
  O  O64  1  0.06843900  0.59465900  0.35633100  1
  O  O65  1  0.19509800  0.85453100  0.79173200  1
  O  O66  1  0.84583300  0.63912000  0.89874000  1
  O  O67  1  0.73175900  0.14365800  0.70714100  1
  O  O68  1  0.38372500  0.34677600  0.60886300  1
  O  O69  1  0.62475100  0.95268200  0.87988200  1
  O  O70  1  0.97353800  0.77652900  0.00866500  1
  O  O71  1  0.07158900  0.04623100  0.86648200  1
