data_InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   8.5
_cell_angle_alpha   127.34
_cell_angle_beta   127.34
_cell_angle_gamma   33.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InP
_chemical_formula_sum   'In3 P3'
_cell_volume   139.67
_cell_formula_units_Z   3
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  0.75  0.0  0.23  1.0
  In  In1  1  0.19  0.0  0.29  1.0
  In  In2  1  0.02  0.0  0.92  1.0
  P  P3  1  0.98  0.0  0.31  1.0
  P  P4  1  0.81  0.0  0.52  1.0
  P  P5  1  0.33  0.0  0.95  1.0

data_InP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   6.22
_cell_length_c   6.84
_cell_angle_alpha   81.09
_cell_angle_beta   74.9
_cell_angle_gamma   73.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InP
_chemical_formula_sum   'In3 P3'
_cell_volume   139.67
_cell_formula_units_Z   3
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  0.1  0.92  1.0
  In  In1  1  0.0  0.53  0.23  1.0
  In  In2  1  0.0  0.9  0.29  1.0
  P  P3  1  0.0  0.29  0.52  1.0
  P  P4  1  0.0  0.37  0.95  1.0
  P  P5  1  0.0  0.67  0.31  1.0

In In In P P P
In In In P P P 0 3 o o o 0 4 o o o 1 3 - o o 2 5 o o o 2 4 - o o 3 4 o o o 