# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11225766
_cell_length_b   10.25386101
_cell_length_c   6.89708605
_cell_angle_alpha   90.00379076
_cell_angle_beta   89.83471630
_cell_angle_gamma   89.99948328
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   361.54636325
_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  0.20309200  0.15094400  0.50086200  1
  Li  Li1  1  0.29691700  0.65093400  0.99914000  1
  Li  Li2  1  0.70306800  0.34906400  0.00086800  1
  Li  Li3  1  0.79693000  0.84906500  0.49914100  1
  Fe  Fe4  1  0.70609100  0.34370200  0.50080100  1
  Fe  Fe5  1  0.79406300  0.84365300  0.99929300  1
  Fe  Fe6  1  0.20585600  0.15637600  0.00070600  1
  Fe  Fe7  1  0.29409800  0.65637600  0.49922900  1
  P  P8  1  0.20075900  0.40382600  0.25008400  1
  P  P9  1  0.29918300  0.90383300  0.24991700  1
  P  P10  1  0.70082900  0.09615800  0.75009100  1
  P  P11  1  0.79917000  0.59615300  0.74990600  1
  O  O12  1  0.09922600  0.62382800  0.75213700  1
  O  O13  1  0.40076900  0.12382200  0.74788800  1
  O  O14  1  0.59924800  0.87615300  0.25213700  1
  O  O15  1  0.90068600  0.37613300  0.24778500  1
  O  O16  1  0.17506500  0.84273000  0.43435500  1
  O  O17  1  0.32496700  0.34273500  0.06566500  1
  O  O18  1  0.67500500  0.65727400  0.93431700  1
  O  O19  1  0.82501000  0.15729500  0.56571500  1
  O  O20  1  0.18530900  0.83967500  0.06315900  1
  O  O21  1  0.31466000  0.33967000  0.43681900  1
  O  O22  1  0.68531300  0.66032200  0.56314900  1
  O  O23  1  0.81467900  0.16033100  0.93685700  1
  O  O24  1  0.24199200  0.05274300  0.24944500  1
  O  O25  1  0.25800200  0.55274700  0.25056300  1
  O  O26  1  0.74198600  0.44722800  0.74942500  1
  O  O27  1  0.75802700  0.94723200  0.75054500  1
