data_CrC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrC2
_chemical_formula_sum   'Cr2 C4'
_cell_volume   50.9
_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
  Cr  Cr4  1  0.0  0.0  0.98  1.0
  Cr  Cr5  1  0.0  0.0  0.0  1.0
  C  C0  1  0.36  0.78  0.67  1.0
  C  C1  1  0.0  0.57  0.66  1.0
  C  C2  1  0.36  0.78  0.31  1.0
  C  C3  1  0.0  0.57  0.3  1.0

data_CrC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrC2
_chemical_formula_sum   'Cr2 C4'
_cell_volume   50.9
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.98  1.0
  C  C2  1  0.0  0.57  0.3  1.0
  C  C3  1  0.0  0.57  0.66  1.0
  C  C4  1  0.36  0.78  0.31  1.0
  C  C5  1  0.36  0.78  0.67  1.0

Cr Cr C C C C
Cr Cr C C C C 0 1 o o + 2 3 o o o 4 5 o o o 