data_NiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   2.48
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC2
_chemical_formula_sum   'Ni1 C2'
_cell_volume   25.04
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  C  C0  1  0.0  0.43  0.35  1.0
  C  C1  1  0.24  0.72  0.35  1.0

data_NiC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   2.48
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC2
_chemical_formula_sum   'Ni1 C2'
_cell_volume   25.04
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.43  0.35  1.0
  C  C2  1  0.24  0.72  0.35  1.0

Ni C C
Ni C C 0 2 - - o 0 2 o o o 0 2 o - o 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o o 0 1 o - o 1 2 o o o 