data_LiSn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   133.52
_cell_angle_beta   133.52
_cell_angle_gamma   67.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2P
_chemical_formula_sum   'Li1 Sn2 P1'
_cell_volume   86.74
_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  Sn2  1  0.0  0.0  0.58  1.0
  Sn  Sn3  1  0.0  0.18  0.29  1.0
  P  P1  1  0.18  0.0  0.29  1.0

data_LiSn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.52
_cell_angle_alpha   113.24
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2P
_chemical_formula_sum   'Li1 Sn2 P1'
_cell_volume   86.74
_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  0.42  0.0  0.42  1.0
  Sn  Sn2  1  0.89  0.18  0.89  1.0
  P  P3  1  0.71  0.0  0.89  1.0

Li Sn Sn P