data_LiSnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnP2
_chemical_formula_sum   'Li1 Sn1 P2'
_cell_volume   72.9
_cell_formula_units_Z   1
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
  Sn  Sn3  1  0.69  0.0  0.0  1.0
  P  P1  1  0.35  0.85  0.83  1.0
  P  P2  1  0.35  0.15  0.83  1.0

data_LiSnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   107.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnP2
_chemical_formula_sum   'Li1 Sn1 P2'
_cell_volume   72.9
_cell_formula_units_Z   1
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
  Sn  Sn1  1  -0.0  0.69  0.0  1.0
  P  P2  1  0.83  0.35  0.15  1.0
  P  P3  1  0.83  0.35  0.85  1.0

Li Sn P P
Li Sn P P 0 1 - o o 0 3 o o - 1 2 o - - 2 3 o + o 