data_InS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   11.14
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   132.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InS
_chemical_formula_sum   'In4 S4'
_cell_volume   189.5
_cell_formula_units_Z   4
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  1.0  0.21  0.86  1.0
  In  In1  1  0.31  0.78  0.4  1.0
  In  In2  1  0.92  0.36  0.77  1.0
  In  In3  1  0.23  0.93  0.31  1.0
  S  S4  1  0.17  0.46  0.13  1.0
  S  S5  1  0.13  0.89  0.13  1.0
  S  S6  1  0.1  0.25  0.04  1.0
  S  S7  1  0.06  0.68  0.04  1.0

data_InS
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.08
_cell_length_b   4.18
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.16
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InS
_chemical_formula_sum   'In4 S4'
_cell_volume   189.5
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.38  0.69  0.29  1.0
  In  In1  2  0.39  0.77  0.14  1.0
  S  S2  2  0.47  0.96  0.18  1.0
  S  S3  2  0.48  0.04  0.39  1.0

In In In In S S S S
In In In In S S S S 0 6 + o + 0 2 o o o 1 7 o o o 1 5 o o o 1 3 o o o 2 6 + o + 2 4 + o + 3 5 o o o 