# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53786921
_cell_length_b   8.53786921
_cell_length_c   9.16295075
_cell_angle_alpha   65.62242763
_cell_angle_beta   65.62242763
_cell_angle_gamma   56.04564086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li2 Fe2 P8 O24'
_cell_volume   489.74913839
_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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe2  1  0.33699600  0.66300400  0.75000000  1
  Fe  Fe3  1  0.66300400  0.33699600  0.25000000  1
  P  P4  1  0.29447700  0.42447900  0.13737100  1
  P  P5  1  0.64881200  0.05210600  0.10438100  1
  P  P6  1  0.94789400  0.35118800  0.39561900  1
  P  P7  1  0.57552100  0.70552300  0.36262900  1
  P  P8  1  0.42447900  0.29447700  0.63737100  1
  P  P9  1  0.05210600  0.64881200  0.60438100  1
  P  P10  1  0.35118800  0.94789400  0.89561900  1
  P  P11  1  0.70552300  0.57552100  0.86262900  1
  O  O12  1  0.72578400  0.09539600  0.19984600  1
  O  O13  1  0.20924300  0.57945100  0.99411000  1
  O  O14  1  0.12645400  0.39533300  0.28576200  1
  O  O15  1  0.43057900  0.21862300  0.08804200  1
  O  O16  1  0.59529700  0.54113800  0.79718400  1
  O  O17  1  0.78137700  0.56942100  0.41195800  1
  O  O18  1  0.60466700  0.87354600  0.21423800  1
  O  O19  1  0.98805700  0.21518600  0.55696300  1
  O  O20  1  0.42054900  0.79075700  0.50589000  1
  O  O21  1  0.78481400  0.01194300  0.94303700  1
  O  O22  1  0.90460400  0.27421600  0.30015400  1
  O  O23  1  0.45886200  0.40470300  0.70281600  1
  O  O24  1  0.54113800  0.59529700  0.29718400  1
  O  O25  1  0.09539600  0.72578400  0.69984600  1
  O  O26  1  0.21518600  0.98805700  0.05696300  1
  O  O27  1  0.57945100  0.20924300  0.49411000  1
  O  O28  1  0.01194300  0.78481400  0.44303700  1
  O  O29  1  0.39533300  0.12645400  0.78576200  1
  O  O30  1  0.21862300  0.43057900  0.58804200  1
  O  O31  1  0.40470300  0.45886200  0.20281600  1
  O  O32  1  0.56942100  0.78137700  0.91195800  1
  O  O33  1  0.87354600  0.60466700  0.71423800  1
  O  O34  1  0.79075700  0.42054900  0.00589000  1
  O  O35  1  0.27421600  0.90460400  0.80015400  1
