data_InC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InC5
_chemical_formula_sum   'In1 C5'
_cell_volume   77.46
_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  In5  1  0.0  0.0  0.0  1.0
  C  C0  1  0.09  0.58  0.34  1.0
  C  C1  1  0.83  0.0  0.34  1.0
  C  C2  1  0.91  0.58  0.34  1.0
  C  C3  1  0.0  0.11  0.0  1.0
  C  C4  1  0.83  0.06  0.0  1.0

data_InC5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InC5
_chemical_formula_sum   'In1 C5'
_cell_volume   77.46
_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  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.11  -0.0  1.0
  C  C2  1  0.09  0.58  0.34  1.0
  C  C3  1  0.83  0.0  0.34  1.0
  C  C4  1  0.83  0.06  -0.0  1.0
  C  C5  1  0.91  0.58  0.34  1.0

In C C C C C