data_InC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   134.43
_cell_angle_beta   95.06
_cell_angle_gamma   102.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InC3
_chemical_formula_sum   'In1 C3'
_cell_volume   62.41
_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  0.08  0.07  1.0
  C  C0  1  0.0  0.3  0.26  1.0
  C  C1  1  0.77  0.78  0.4  1.0
  C  C2  1  0.0  0.0  0.05  1.0

data_InC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   77.77
_cell_angle_beta   67.21
_cell_angle_gamma   67.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InC3
_chemical_formula_sum   'In1 C3'
_cell_volume   62.41
_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  0.93  0.0  0.99  1.0
  C  C1  1  0.6  0.77  0.62  1.0
  C  C2  1  0.74  0.0  0.96  1.0
  C  C3  1  0.95  0.0  0.05  1.0

In C C C
In C C C 0 3 o o o 0 1 o o o 0 2 - - o 0 2 - - - 1 2 - o o 1 2 - - o 1 2 - - - 2 3 + + o 2 3 + + + 