data_LiPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.64
_cell_angle_alpha   93.39
_cell_angle_beta   93.39
_cell_angle_gamma   42.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPCl2
_chemical_formula_sum   'Li1 P1 Cl2'
_cell_volume   90.57
_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  0.96  0.0  0.31  1.0
  Cl  Cl0  1  0.32  0.0  0.36  1.0
  Cl  Cl1  1  0.61  0.0  0.26  1.0

data_LiPCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.49
_cell_length_c   6.64
_cell_angle_alpha   93.39
_cell_angle_beta   90.0
_cell_angle_gamma   111.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPCl2
_chemical_formula_sum   'Li1 P1 Cl2'
_cell_volume   90.57
_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
  P  P1  1  0.0  0.04  0.69  1.0
  Cl  Cl2  1  0.0  0.39  0.74  1.0
  Cl  Cl3  1  0.0  0.68  0.64  1.0

Li P Cl Cl