data_In2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   150.72
_cell_angle_beta   146.19
_cell_angle_gamma   45.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2As
_chemical_formula_sum   'In2 As1'
_cell_volume   75.25
_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  0.23  1.0
  In  In2  1  0.0  0.0  0.81  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_In2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.79
_cell_length_c   6.52
_cell_angle_alpha   106.91
_cell_angle_beta   104.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2As
_chemical_formula_sum   'In2 As1'
_cell_volume   75.25
_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  0.19  0.19  0.19  1.0
  In  In1  1  0.77  0.77  0.77  1.0
  As  As2  1  0.0  0.0  0.0  1.0

In In As
In In As 0 2 o o o 1 2 o o + 