data_LiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   6.83
_cell_angle_alpha   93.27
_cell_angle_beta   93.27
_cell_angle_gamma   29.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiP2
_chemical_formula_sum   'Li2 P4'
_cell_volume   95.23
_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  0.06  0.0  0.11  1.0
  Li  Li1  1  0.88  0.0  0.71  1.0
  P  P2  1  0.04  0.0  0.31  1.0
  P  P3  1  0.25  0.0  0.65  1.0
  P  P4  1  0.68  0.0  0.17  1.0
  P  P5  1  0.9  0.0  0.51  1.0

data_LiP2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.7
_cell_length_b   5.34
_cell_length_c   6.83
_cell_angle_alpha   93.27
_cell_angle_beta   90.0
_cell_angle_gamma   104.64
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiP2
_chemical_formula_sum   'Li2 P4'
_cell_volume   95.23
_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  0.0  0.09  0.2  1.0
  P  P1  2  0.0  0.07  0.4  1.0
  P  P2  2  0.0  0.28  0.74  1.0

Li Li P P P P
Li Li P P P P 0 2 o o o 0 4 - o o 1 5 o o o 1 3 + o o 2 5 - o o 2 4 - o o 3 5 - o o 