data_Sc2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.55
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2C
_chemical_formula_sum   'Sc4 C2'
_cell_volume   102.18
_cell_formula_units_Z   2
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  Sc2  1  0.5  0.75  0.0  1.0
  Sc  Sc3  1  0.99  0.8  0.0  1.0
  Sc  Sc4  1  0.25  0.58  0.68  1.0
  Sc  Sc5  1  0.24  0.98  0.68  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.74  0.78  0.68  1.0

data_Sc2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.49
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2C
_chemical_formula_sum   'Sc4 C2'
_cell_volume   102.18
_cell_formula_units_Z   2
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  0.5  0.75  1.0
  Sc  Sc1  1  0.0  0.99  0.8  1.0
  Sc  Sc2  1  0.68  0.24  0.98  1.0
  Sc  Sc3  1  0.68  0.25  0.58  1.0
  C  C4  1  0.0  0.0  0.0  1.0
  C  C5  1  0.68  0.74  0.78  1.0

Sc Sc Sc Sc C C