data_ScC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScC3
_chemical_formula_sum   'Sc1 C3'
_cell_volume   45.01
_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
  Sc  Sc3  1  0.0  0.0  0.32  1.0
  C  C0  1  0.58  0.0  0.72  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.58  0.0  0.93  1.0

data_ScC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.46
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScC3
_chemical_formula_sum   'Sc1 C3'
_cell_volume   45.01
_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
  Sc  Sc0  1  0.0  0.0  0.32  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.58  0.72  1.0
  C  C3  1  0.0  0.58  0.93  1.0

Sc C C C