# generated using pymatgen
data_LiFePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16529038
_cell_length_b   7.16529038
_cell_length_c   10.70953351
_cell_angle_alpha   70.03426359
_cell_angle_beta   70.03426359
_cell_angle_gamma   43.58318299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO5
_chemical_formula_sum   'Li4 Fe4 P4 O20'
_cell_volume   352.50403178
_cell_formula_units_Z   4
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  0.98977700  0.01022300  0.75000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Li  Li2  1  0.01022300  0.98977700  0.25000000  1
  Li  Li3  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe7  1  0.00000000  0.50000000  0.50000000  1
  P  P8  1  0.61873400  0.62942800  0.81596000  1
  P  P9  1  0.62942800  0.61873400  0.31596000  1
  P  P10  1  0.38126600  0.37057200  0.18404000  1
  P  P11  1  0.37057200  0.38126600  0.68404000  1
  O  O12  1  0.31032800  0.31763900  0.83658200  1
  O  O13  1  0.68980100  0.71191800  0.89631500  1
  O  O14  1  0.16270500  0.09202300  0.04176200  1
  O  O15  1  0.30901800  0.79116100  0.85260500  1
  O  O16  1  0.80248800  0.31676400  0.85331700  1
  O  O17  1  0.83729500  0.90797700  0.95823800  1
  O  O18  1  0.68967200  0.68236100  0.16341800  1
  O  O19  1  0.31019900  0.28808200  0.10368500  1
  O  O20  1  0.79116100  0.30901800  0.35260500  1
  O  O21  1  0.31676400  0.80248800  0.35331700  1
  O  O22  1  0.69098200  0.20883900  0.14739500  1
  O  O23  1  0.19751200  0.68323600  0.14668300  1
  O  O24  1  0.31763900  0.31032800  0.33658200  1
  O  O25  1  0.71191800  0.68980100  0.39631500  1
  O  O26  1  0.09202300  0.16270500  0.54176200  1
  O  O27  1  0.20883900  0.69098200  0.64739500  1
  O  O28  1  0.68323600  0.19751200  0.64668300  1
  O  O29  1  0.90797700  0.83729500  0.45823800  1
  O  O30  1  0.28808200  0.31019900  0.60368500  1
  O  O31  1  0.68236100  0.68967200  0.66341800  1
