data_InAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsP2
_chemical_formula_sum   'In1 As1 P2'
_cell_volume   79.6
_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  0.72  0.72  0.19  1.0
  As  As0  1  0.0  0.0  0.9  1.0
  P  P2  1  0.0  0.0  0.51  1.0
  P  P3  1  0.72  0.72  0.52  1.0

data_InAsP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InAsP2
_chemical_formula_sum   'In2 As2 P4'
_cell_volume   159.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.22  0.5  0.19  1.0
  As  As1  2  0.0  0.0  0.9  1.0
  P  P2  2  0.0  0.0  0.51  1.0
  P  P3  2  0.22  0.5  0.52  1.0

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