# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46989997
_cell_length_b   10.46989997
_cell_length_c   5.22408163
_cell_angle_alpha   82.11169361
_cell_angle_beta   82.11169361
_cell_angle_gamma   71.07964964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li2 Fe2 P8 O24'
_cell_volume   533.95635766
_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  0.42365000  0.42365000  0.57704700  1
  Li  Li1  1  0.57635000  0.57635000  0.42295300  1
  Fe  Fe2  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.00000000  1
  P  P4  1  0.21560500  0.63219000  0.17669300  1
  P  P5  1  0.05816200  0.30078000  0.53493100  1
  P  P6  1  0.69922000  0.94183800  0.46506900  1
  P  P7  1  0.36781000  0.78439500  0.82330700  1
  P  P8  1  0.78439500  0.36781000  0.82330700  1
  P  P9  1  0.30078000  0.05816200  0.53493100  1
  P  P10  1  0.63219000  0.21560500  0.17669300  1
  P  P11  1  0.94183800  0.69922000  0.46506900  1
  O  O12  1  0.08986200  0.71058900  0.37379300  1
  O  O13  1  0.33532100  0.56056900  0.32104500  1
  O  O14  1  0.16753000  0.55172800  0.01217100  1
  O  O15  1  0.28941100  0.91013800  0.62620700  1
  O  O16  1  0.14598200  0.14598200  0.60888500  1
  O  O17  1  0.44827200  0.83247000  0.98782900  1
  O  O18  1  0.76448500  0.23551500  0.00000000  1
  O  O19  1  0.66861100  0.92668900  0.75486700  1
  O  O20  1  0.33138900  0.07331100  0.24513300  1
  O  O21  1  0.85401800  0.85401800  0.39111500  1
  O  O22  1  0.91013800  0.28941100  0.62620700  1
  O  O23  1  0.07331100  0.33138900  0.24513300  1
  O  O24  1  0.66467900  0.43943100  0.67895500  1
  O  O25  1  0.92668900  0.66861100  0.75486700  1
  O  O26  1  0.90723500  0.60744300  0.30484600  1
  O  O27  1  0.43943100  0.66467900  0.67895500  1
  O  O28  1  0.09276500  0.39255700  0.69515400  1
  O  O29  1  0.83247000  0.44827200  0.98782900  1
  O  O30  1  0.55172800  0.16753000  0.01217100  1
  O  O31  1  0.39255700  0.09276500  0.69515400  1
  O  O32  1  0.71058900  0.08986200  0.37379300  1
  O  O33  1  0.56056900  0.33532100  0.32104500  1
  O  O34  1  0.23551500  0.76448500  0.00000000  1
  O  O35  1  0.60744300  0.90723500  0.30484600  1
