data_Cr7C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   105.66
_cell_angle_beta   105.66
_cell_angle_gamma   117.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr7C5
_chemical_formula_sum   'Cr7 C5'
_cell_volume   121.38
_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
  Cr  Cr5  1  0.0  0.0  0.87  1.0
  Cr  Cr6  1  0.28  0.0  0.76  1.0
  Cr  Cr7  1  0.0  0.28  0.76  1.0
  Cr  Cr8  1  0.58  0.0  0.25  1.0
  Cr  Cr9  1  0.7  0.28  0.43  1.0
  Cr  Cr10  1  0.28  0.7  0.43  1.0
  Cr  Cr11  1  0.0  0.58  0.25  1.0
  C  C0  1  0.0  0.0  0.54  1.0
  C  C1  1  0.61  0.39  0.67  1.0
  C  C2  1  0.39  0.61  0.67  1.0
  C  C3  1  0.39  0.39  0.67  1.0
  C  C4  1  0.89  0.89  0.85  1.0

data_Cr7C5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   9.28
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   121.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr7C5
_chemical_formula_sum   'Cr14 C10'
_cell_volume   242.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.01  0.29  0.57  1.0
  Cr  Cr1  4  0.21  0.21  0.75  1.0
  Cr  Cr2  4  0.36  0.36  0.24  1.0
  Cr  Cr3  2  0.0  0.0  0.13  1.0
  C  C4  4  0.0  0.39  0.33  1.0
  C  C5  2  0.0  0.0  0.46  1.0
  C  C6  2  0.11  0.5  0.33  1.0
  C  C7  2  0.11  0.0  0.15  1.0

Cr Cr Cr Cr Cr Cr Cr C C C C C
Cr Cr Cr Cr Cr Cr Cr C C C C C 0 11 - - o 0 1 o o o 0 2 o o o 0 7 o o o 1 7 o o o 2 7 o o o 3 4 o o o 5 6 o o o 7 10 o o o 8 10 o o o 9 10 o o o 