data_In2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   150.77
_cell_angle_beta   138.91
_cell_angle_gamma   51.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PCl
_chemical_formula_sum   'In2 P1 Cl1'
_cell_volume   95.53
_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  0.0  0.0  0.38  1.0
  In  In2  1  0.69  0.0  0.24  1.0
  P  P3  1  0.0  0.0  0.49  1.0
  Cl  Cl0  1  0.0  0.35  0.95  1.0

data_In2PCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.69
_cell_length_c   6.69
_cell_angle_alpha   110.55
_cell_angle_beta   104.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PCl
_chemical_formula_sum   'In2 P1 Cl1'
_cell_volume   95.53
_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  0.0  0.24  0.55  1.0
  In  In1  1  0.0  0.38  0.38  1.0
  P  P2  1  0.0  0.49  0.49  1.0
  Cl  Cl3  1  0.65  0.6  0.6  1.0

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