# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25597735
_cell_length_b   7.88495173
_cell_length_c   9.21298058
_cell_angle_alpha   111.62959592
_cell_angle_beta   76.19025340
_cell_angle_gamma   97.64969700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   344.23899036
_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  0.28490000  0.01410800  0.37009200  1
  Li  Li1  1  0.28493000  0.01401500  0.87001200  1
  Li  Li2  1  0.71497500  0.98593000  0.63000900  1
  Li  Li3  1  0.71520200  0.98591000  0.12991600  1
  Fe  Fe4  1  0.23501300  0.39565600  0.17498400  1
  Fe  Fe5  1  0.76497200  0.60436200  0.32500800  1
  Fe  Fe6  1  0.23508500  0.39587000  0.67511600  1
  Fe  Fe7  1  0.76490400  0.60411600  0.82488700  1
  P  P8  1  0.19259500  0.73974900  0.54682600  1
  P  P9  1  0.19264900  0.73949100  0.04684400  1
  P  P10  1  0.80739800  0.26051200  0.45314600  1
  P  P11  1  0.80735300  0.26026900  0.95318700  1
  O  O12  1  0.37652600  0.61882400  0.39238700  1
  O  O13  1  0.37661200  0.61867800  0.89228400  1
  O  O14  1  0.62337300  0.38126300  0.60770300  1
  O  O15  1  0.62344500  0.38122100  0.10763300  1
  O  O16  1  0.91181400  0.37760000  0.34493800  1
  O  O17  1  0.91211500  0.37727400  0.84489200  1
  O  O18  1  0.08791800  0.62273700  0.65511600  1
  O  O19  1  0.08813600  0.62240100  0.15503700  1
  O  O20  1  0.65686500  0.08761400  0.36442700  1
  O  O21  1  0.65682000  0.08735600  0.86446000  1
  O  O22  1  0.34313400  0.91267000  0.63555300  1
  O  O23  1  0.34323900  0.91235500  0.13557400  1
  O  O24  1  0.95825300  0.79394700  0.49855200  1
  O  O25  1  0.95818600  0.79364500  0.99867300  1
  O  O26  1  0.04190900  0.20638900  0.50129800  1
  O  O27  1  0.04167800  0.20603800  0.00144400  1
