data_In2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   8.8
_cell_angle_alpha   26.52
_cell_angle_beta   26.52
_cell_angle_gamma   26.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2As3
_chemical_formula_sum   'In2 As3'
_cell_volume   119.74
_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  In3  1  0.0  0.0  0.38  1.0
  In  In4  1  0.0  0.0  0.08  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.0  0.88  1.0
  As  As2  1  0.0  0.0  0.57  1.0

data_In2As3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.99
_cell_length_b   4.04
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2As3
_chemical_formula_sum   'In4 As6'
_cell_volume   239.49
_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  0.0  0.0  0.62  1.0
  In  In1  2  0.0  0.0  0.92  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  As  As3  2  0.0  0.0  0.12  1.0
  As  As4  2  0.0  0.0  0.43  1.0

In In As As As