data_Ni2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2C
_chemical_formula_sum   'Ni4 C2'
_cell_volume   68.37
_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
  Ni  Ni2  1  0.46  0.84  0.87  1.0
  Ni  Ni3  1  0.0  0.69  0.24  1.0
  Ni  Ni4  1  0.46  0.84  0.0  1.0
  Ni  Ni5  1  0.0  0.69  0.38  1.0
  C  C0  1  0.0  0.0  0.62  1.0
  C  C1  1  0.0  0.0  0.0  1.0

data_Ni2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2C
_chemical_formula_sum   'Ni4 C2'
_cell_volume   68.37
_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
  Ni  Ni0  1  -0.0  0.69  0.24  1.0
  Ni  Ni1  1  -0.0  0.69  0.38  1.0
  Ni  Ni2  1  0.46  0.84  0.0  1.0
  Ni  Ni3  1  0.46  0.84  0.87  1.0
  C  C4  1  0.0  0.0  0.0  1.0
  C  C5  1  0.0  0.0  0.62  1.0

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