data_ScCrC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrC2
_chemical_formula_sum   'Sc2 Cr2 C4'
_cell_volume   82.5
_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  Sc6  1  0.0  0.0  0.5  1.0
  Sc  Sc7  1  0.0  0.0  0.0  1.0
  Cr  Cr4  1  0.0  0.88  0.25  1.0
  Cr  Cr5  1  0.63  0.94  0.75  1.0
  C  C0  1  0.0  0.88  0.99  1.0
  C  C1  1  0.0  0.88  0.51  1.0
  C  C2  1  0.63  0.94  0.49  1.0
  C  C3  1  0.63  0.94  0.01  1.0

data_ScCrC2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   9.0
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScCrC2
_chemical_formula_sum   'Sc2 Cr2 C4'
_cell_volume   82.5
_cell_formula_units_Z   2
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
  Sc  Sc0  2  0.0  0.25  0.0  1.0
  Cr  Cr1  1  -0.0  0.5  0.88  1.0
  Cr  Cr2  1  0.63  0.0  0.94  1.0
  C  C3  2  -0.0  0.24  0.88  1.0
  C  C4  2  0.63  0.26  0.94  1.0

Sc Sc Cr Cr C C C C
Sc Sc Cr Cr C C C C 0 5 o - o 0 2 o - o 0 3 - - o 0 6 - - o 1 4 o - - 1 2 o - o 1 3 - - - 1 7 - - o 2 7 - o o 2 6 - o o 2 4 o o - 2 5 o o o 3 5 o o o 3 5 + o o 3 4 o o o 3 4 + o o 3 6 o o o 3 7 o o + 4 7 - o + 5 6 - o o 