data_LiFeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP
_chemical_formula_sum   'Li2 Fe2 P2'
_cell_volume   78.51
_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  0.84  0.75  0.82  1.0
  Li  Li1  1  0.84  0.25  0.94  1.0
  Fe  Fe2  1  0.84  0.15  0.82  1.0
  Fe  Fe3  1  0.84  0.85  0.94  1.0
  P  P4  1  0.84  0.64  0.82  1.0
  P  P5  1  0.84  0.36  0.94  1.0

data_LiFeP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.69
_cell_length_b   3.75
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiFeP
_chemical_formula_sum   'Li2 Fe2 P2'
_cell_volume   78.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.25  0.94  0.25  1.0
  Fe  Fe1  2  0.15  0.06  0.15  1.0
  P  P2  2  0.36  0.94  0.36  1.0

Li Li Fe Fe P P