data_NiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   2.9
_cell_angle_alpha   94.43
_cell_angle_beta   94.43
_cell_angle_gamma   33.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC
_chemical_formula_sum   'Ni2 C2'
_cell_volume   34.24
_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  0.3  0.0  0.7  1.0
  Ni  Ni3  1  0.36  0.0  0.19  1.0
  C  C0  1  0.34  0.0  0.03  1.0
  C  C1  1  0.31  0.0  0.87  1.0

data_NiC
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.66
_cell_length_b   2.9
_cell_length_c   4.64
_cell_angle_alpha   94.43
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiC
_chemical_formula_sum   'Ni2 C2'
_cell_volume   34.24
_cell_formula_units_Z   2
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  0.0  0.25  0.97  1.0
  C  C1  2  0.0  0.42  0.99  1.0

Ni Ni C C
Ni Ni C C 0 3 o o o 1 2 o o o 2 3 o o - 