# generated using pymatgen
data_LiFe(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58894900
_cell_length_b   6.82575154
_cell_length_c   7.38980469
_cell_angle_alpha   80.36579532
_cell_angle_beta   86.56884997
_cell_angle_gamma   87.89786522
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)3
_chemical_formula_sum   'Li2 Fe2 P6 O18'
_cell_volume   326.95813648
_cell_formula_units_Z   2
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  0.14235800  0.55167000  0.18479500  1
  Li  Li1  1  0.85764200  0.44833000  0.81520500  1
  Fe  Fe2  1  0.82588900  0.92582900  0.85932000  1
  Fe  Fe3  1  0.17411100  0.07417100  0.14068000  1
  P  P4  1  0.14660000  0.21256200  0.55270000  1
  P  P5  1  0.67956800  0.13084300  0.22393900  1
  P  P6  1  0.85340000  0.78743800  0.44730000  1
  P  P7  1  0.63523600  0.57677700  0.19886400  1
  P  P8  1  0.36476400  0.42322300  0.80113600  1
  P  P9  1  0.32043200  0.86915700  0.77606100  1
  O  O10  1  0.42009500  0.61718800  0.15773400  1
  O  O11  1  0.24935500  0.99148600  0.58259600  1
  O  O12  1  0.52452700  0.93596800  0.81348100  1
  O  O13  1  0.75064500  0.00851400  0.41740400  1
  O  O14  1  0.85106800  0.10894200  0.07923400  1
  O  O15  1  0.57990500  0.38281200  0.84226600  1
  O  O16  1  0.14893200  0.89105800  0.92076600  1
  O  O17  1  0.95798000  0.21791600  0.67787500  1
  O  O18  1  0.67629600  0.34413700  0.27963600  1
  O  O19  1  0.47547300  0.06403200  0.18651900  1
  O  O20  1  0.32318000  0.34105400  0.61282900  1
  O  O21  1  0.80393100  0.64040600  0.05372900  1
  O  O22  1  0.67682000  0.65894600  0.38717100  1
  O  O23  1  0.86848800  0.72929100  0.65220000  1
  O  O24  1  0.04202000  0.78208400  0.32212500  1
  O  O25  1  0.32370400  0.65586300  0.72036400  1
  O  O26  1  0.19606900  0.35959400  0.94627100  1
  O  O27  1  0.13151200  0.27070900  0.34780000  1
