data_NiC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   147.73
_cell_angle_beta   132.64
_cell_angle_gamma   58.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC3
_chemical_formula_sum   'Ni1 C3'
_cell_volume   36.28
_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  Ni3  1  0.0  0.0  0.96  1.0
  C  C0  1  0.0  0.82  1.0  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.26  0.0  0.96  1.0

data_NiC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   3.64
_cell_length_c   4.53
_cell_angle_alpha   113.68
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC3
_chemical_formula_sum   'Ni1 C3'
_cell_volume   36.28
_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  0.96  0.96  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.96  0.7  1.0
  C  C3  1  0.18  0.18  0.18  1.0

Ni C C C