# generated using pymatgen
data_LiFePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14759100
_cell_length_b   7.59764900
_cell_length_c   7.85272000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO5
_chemical_formula_sum   'Li4 Fe4 P4 O20'
_cell_volume   366.77886681
_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  0.25000000  0.14305200  0.66945100  1
  Li  Li1  1  0.75000000  0.35694800  0.16945100  1
  Li  Li2  1  0.25000000  0.64305200  0.83054900  1
  Li  Li3  1  0.75000000  0.85694800  0.33054900  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1
  P  P8  1  0.75000000  0.13104300  0.66385800  1
  P  P9  1  0.25000000  0.36895700  0.16385800  1
  P  P10  1  0.75000000  0.63104300  0.83614200  1
  P  P11  1  0.25000000  0.86895700  0.33614200  1
  O  O12  1  0.25000000  0.01748500  0.46187400  1
  O  O13  1  0.75000000  0.10535500  0.09421700  1
  O  O14  1  0.54188900  0.12400700  0.77819500  1
  O  O15  1  0.95811100  0.12400700  0.77819500  1
  O  O16  1  0.25000000  0.18362700  0.07280800  1
  O  O17  1  0.75000000  0.31637300  0.57280800  1
  O  O18  1  0.04188900  0.37599300  0.27819500  1
  O  O19  1  0.45811100  0.37599300  0.27819500  1
  O  O20  1  0.25000000  0.39464500  0.59421700  1
  O  O21  1  0.75000000  0.48251500  0.96187400  1
  O  O22  1  0.25000000  0.51748500  0.03812600  1
  O  O23  1  0.75000000  0.60535500  0.40578300  1
  O  O24  1  0.54188900  0.62400700  0.72180500  1
  O  O25  1  0.95811100  0.62400700  0.72180500  1
  O  O26  1  0.25000000  0.68362700  0.42719200  1
  O  O27  1  0.75000000  0.81637300  0.92719200  1
  O  O28  1  0.04188900  0.87599300  0.22180500  1
  O  O29  1  0.45811100  0.87599300  0.22180500  1
  O  O30  1  0.25000000  0.89464500  0.90578300  1
  O  O31  1  0.75000000  0.98251500  0.53812600  1
