data_CrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrC
_chemical_formula_sum   'Cr4 C4'
_cell_volume   75.03
_cell_formula_units_Z   4
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  0.38  1.0
  Cr  Cr5  1  0.0  0.0  0.13  1.0
  Cr  Cr6  1  0.98  0.15  0.13  1.0
  Cr  Cr7  1  0.0  0.29  0.38  1.0
  C  C0  1  0.98  0.15  0.7  1.0
  C  C1  1  0.0  0.29  0.46  1.0
  C  C2  1  0.0  0.29  0.8  1.0
  C  C3  1  0.98  0.15  0.05  1.0

data_CrC
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrC
_chemical_formula_sum   'Cr4 C4'
_cell_volume   75.03
_cell_formula_units_Z   4
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  0.13  1.0
  Cr  Cr1  1  0.0  0.0  0.38  1.0
  Cr  Cr2  1  0.0  0.29  0.38  1.0
  Cr  Cr3  1  0.98  0.15  0.13  1.0
  C  C4  1  0.0  0.29  0.46  1.0
  C  C5  1  0.0  0.29  0.8  1.0
  C  C6  1  0.98  0.15  0.05  1.0
  C  C7  1  0.98  0.15  0.7  1.0

Cr Cr Cr Cr C C C C