# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76423400
_cell_length_b   5.76394600
_cell_length_c   8.12461200
_cell_angle_alpha   89.99976788
_cell_angle_beta   90.00008207
_cell_angle_gamma   90.00033796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   269.93806855
_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  0.99999900  0.22427700  0.00000200  1
  Li  Li1  1  0.00000000  0.77572600  0.50000100  1
  Li  Li2  1  0.22427900  0.00000000  0.25000100  1
  Li  Li3  1  0.77571900  0.99999900  0.75000200  1
  Fe  Fe4  1  0.50000700  0.23735000  0.99997800  1
  Fe  Fe5  1  0.50000200  0.76264200  0.50000500  1
  Fe  Fe6  1  0.23736400  0.49999900  0.25000300  1
  Fe  Fe7  1  0.76264200  0.49999500  0.75000000  1
  P  P8  1  0.25110900  0.25111300  0.62499800  1
  P  P9  1  0.25110900  0.74888600  0.87500400  1
  P  P10  1  0.74889000  0.25111600  0.37500500  1
  P  P11  1  0.74889200  0.74888300  0.12499700  1
  O  O12  1  0.96945900  0.25128600  0.26423300  1
  O  O13  1  0.96946100  0.74871300  0.23577300  1
  O  O14  1  0.25128300  0.96947600  0.98578200  1
  O  O15  1  0.25127900  0.03052600  0.51421400  1
  O  O16  1  0.74871600  0.96947600  0.01421800  1
  O  O17  1  0.74871200  0.03052300  0.48578200  1
  O  O18  1  0.03054000  0.25128800  0.73577200  1
  O  O19  1  0.03054100  0.74871400  0.76422900  1
  O  O20  1  0.25265200  0.47500600  0.51303500  1
  O  O21  1  0.25265100  0.52499500  0.98696900  1
  O  O22  1  0.52501300  0.25265900  0.26304700  1
  O  O23  1  0.52501700  0.74734900  0.23695500  1
  O  O24  1  0.47498500  0.25265500  0.73695000  1
  O  O25  1  0.47498700  0.74735200  0.76304700  1
  O  O26  1  0.74734800  0.47500400  0.48696200  1
  O  O27  1  0.74734300  0.52499300  0.01303400  1
