data_In5As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   21.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In5As
_chemical_formula_sum   'In5 As1'
_cell_volume   169.81
_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  0.8  1.0
  In  In2  1  0.0  0.0  0.98  1.0
  In  In3  1  0.78  0.0  0.84  1.0
  In  In4  1  0.78  0.0  0.96  1.0
  In  In5  1  0.78  0.0  0.83  1.0
  As  As0  1  0.0  0.0  0.77  1.0

data_In5As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.55
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In5As
_chemical_formula_sum   'In5 As1'
_cell_volume   169.81
_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  0.02  0.0  0.02  1.0
  In  In1  1  0.04  0.78  0.04  1.0
  In  In2  1  0.16  0.78  0.16  1.0
  In  In3  1  0.17  0.78  0.17  1.0
  In  In4  1  0.2  0.0  0.2  1.0
  As  As5  1  0.23  0.0  0.23  1.0

In In In In In As