# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00433473
_cell_length_b   8.73392451
_cell_length_c   8.77687806
_cell_angle_alpha   110.40574063
_cell_angle_beta   91.25075819
_cell_angle_gamma   91.03299360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   359.32200424
_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  0.02389800  0.50506500  0.47336200  1
  Li  Li1  1  0.52388600  0.50507800  0.97336800  1
  Li  Li2  1  0.96815300  0.00486600  0.02869600  1
  Li  Li3  1  0.46812400  0.00485600  0.52870100  1
  Fe  Fe4  1  0.97475300  0.24914400  0.77699600  1
  Fe  Fe5  1  0.52646800  0.74921000  0.72414900  1
  Fe  Fe6  1  0.47475800  0.24910300  0.27705400  1
  Fe  Fe7  1  0.02648600  0.74916500  0.22411800  1
  P  P8  1  0.97764800  0.12632700  0.39800800  1
  P  P9  1  0.47764800  0.12635400  0.89801600  1
  P  P10  1  0.52163700  0.62640700  0.35405100  1
  P  P11  1  0.02163500  0.62642400  0.85405200  1
  O  O12  1  0.30156900  0.14962100  0.04785200  1
  O  O13  1  0.80154100  0.14960700  0.54783000  1
  O  O14  1  0.64648800  0.64980400  0.20271400  1
  O  O15  1  0.14647800  0.64980600  0.70270800  1
  O  O16  1  0.79142300  0.09673500  0.24537000  1
  O  O17  1  0.29140500  0.09675800  0.74537500  1
  O  O18  1  0.21437400  0.59716100  0.32258200  1
  O  O19  1  0.71436700  0.59718700  0.82260400  1
  O  O20  1  0.15936900  0.28131800  0.42880800  1
  O  O21  1  0.65938000  0.28134000  0.92879800  1
  O  O22  1  0.08178700  0.78130100  0.00695500  1
  O  O23  1  0.58173700  0.78129000  0.50695300  1
  O  O24  1  0.64067100  0.47771700  0.38855100  1
  O  O25  1  0.14066300  0.47772800  0.88854400  1
  O  O26  1  0.16352400  0.97776900  0.36588900  1
  O  O27  1  0.66353600  0.97779100  0.86589000  1
