data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li2 Fe2 P2 O8'
_cell_volume   150.99
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.0  0.14  1.0
  Fe  Fe2  1  0.85  0.48  0.57  1.0
  Fe  Fe3  1  0.85  0.52  0.72  1.0
  P  P4  1  0.85  0.78  0.72  1.0
  P  P5  1  0.85  0.22  0.57  1.0
  O  O6  1  0.1  0.28  0.57  1.0
  O  O7  1  0.1  0.72  0.72  1.0
  O  O8  1  0.85  0.86  0.47  1.0
  O  O9  1  0.85  0.86  0.96  1.0
  O  O10  1  0.85  0.14  0.32  1.0
  O  O11  1  0.85  0.14  0.82  1.0
  O  O12  1  0.59  0.28  0.57  1.0
  O  O13  1  0.59  0.72  0.72  1.0

data_LiFePO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li2 Fe2 P2 O8'
_cell_volume   150.99
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.0  0.14  1.0
  Fe  Fe2  1  0.85  0.48  0.57  1.0
  Fe  Fe3  1  0.85  0.52  0.72  1.0
  P  P4  1  0.85  0.22  0.57  1.0
  P  P5  1  0.85  0.78  0.72  1.0
  O  O6  1  0.1  0.28  0.57  1.0
  O  O7  1  0.1  0.72  0.72  1.0
  O  O8  1  0.59  0.28  0.57  1.0
  O  O9  1  0.59  0.72  0.72  1.0
  O  O10  1  0.85  0.14  0.32  1.0
  O  O11  1  0.85  0.14  0.82  1.0
  O  O12  1  0.85  0.86  0.47  1.0
  O  O13  1  0.85  0.86  0.96  1.0

Li Li Fe Fe P P O O O O O O O O