data_LiPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   7.84
_cell_angle_alpha   24.1
_cell_angle_beta   24.1
_cell_angle_gamma   24.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPCl2
_chemical_formula_sum   'Li1 P1 Cl2'
_cell_volume   70.66
_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  Li2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.42  1.0
  Cl  Cl0  1  0.0  0.0  0.05  1.0
  Cl  Cl1  1  0.0  0.0  0.79  1.0

data_LiPCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   3.27
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   103.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiPCl2
_chemical_formula_sum   'Li2 P2 Cl4'
_cell_volume   141.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  P  P1  2  0.0  0.0  0.58  1.0
  Cl  Cl2  2  -0.0  0.0  0.95  1.0
  Cl  Cl3  2  -0.0  0.0  0.21  1.0

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