data_NiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   3.91
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC2
_chemical_formula_sum   'Ni4 C8'
_cell_volume   128.63
_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
  Ni  Ni8  1  0.61  0.98  0.02  1.0
  Ni  Ni9  1  0.24  0.93  0.52  1.0
  Ni  Ni10  1  0.33  0.98  0.49  1.0
  Ni  Ni11  1  0.96  0.93  0.99  1.0
  C  C0  1  0.38  0.98  0.34  1.0
  C  C1  1  0.91  0.93  0.84  1.0
  C  C2  1  0.66  0.98  0.16  1.0
  C  C3  1  0.19  0.93  0.67  1.0
  C  C4  1  0.38  0.98  0.63  1.0
  C  C5  1  0.91  0.93  0.13  1.0
  C  C6  1  0.66  0.98  0.88  1.0
  C  C7  1  0.19  0.93  0.38  1.0

data_NiC2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.91
_cell_length_b   5.01
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiC2
_chemical_formula_sum   'Ni4 C8'
_cell_volume   128.63
_cell_formula_units_Z   4
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
  Ni  Ni0  2  0.48  0.98  0.67  1.0
  Ni  Ni1  2  0.48  0.51  0.96  1.0
  C  C2  2  0.48  0.37  0.91  1.0
  C  C3  2  0.48  0.66  0.91  1.0
  C  C4  2  0.48  0.12  0.62  1.0
  C  C5  2  0.48  0.84  0.62  1.0

Ni Ni Ni Ni C C C C C C C C