data_InPCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPCl
_chemical_formula_sum   'In1 P1 Cl1'
_cell_volume   72.21
_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
  In  In1  1  0.19  0.26  0.93  1.0
  P  P2  1  0.0  0.0  0.37  1.0
  Cl  Cl0  1  1.0  0.52  0.06  1.0

data_InPCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPCl
_chemical_formula_sum   'In1 P1 Cl1'
_cell_volume   72.21
_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
  In  In0  1  0.93  0.19  0.26  1.0
  P  P1  1  0.37  0.0  0.0  1.0
  Cl  Cl2  1  0.06  1.0  0.52  1.0

In P Cl
In P Cl 0 1 o o + 0 1 o o o 0 2 - o + 1 2 - o o 1 2 - - o 