data_InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   5.52
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InP
_chemical_formula_sum   'In2 P2'
_cell_volume   84.87
_cell_formula_units_Z   2
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  0.96  0.0  0.99  1.0
  In  In1  1  0.0  0.76  0.92  1.0
  P  P2  1  0.0  0.0  0.02  1.0
  P  P3  1  0.96  0.76  0.89  1.0

data_InP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.91
_cell_length_b   3.93
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InP
_chemical_formula_sum   'In2 P2'
_cell_volume   84.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.47  0.52  0.38  1.0
  P  P1  2  0.43  0.48  0.38  1.0

In In P P