data_NiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC
_chemical_formula_sum   'Ni4 C4'
_cell_volume   66.89
_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  Ni4  1  0.0  0.0  0.27  1.0
  Ni  Ni5  1  0.0  0.0  0.82  1.0
  Ni  Ni6  1  0.95  0.12  0.82  1.0
  Ni  Ni7  1  0.0  0.25  0.27  1.0
  C  C0  1  0.95  0.12  0.66  1.0
  C  C1  1  0.0  0.25  0.21  1.0
  C  C2  1  0.0  0.25  0.44  1.0
  C  C3  1  0.95  0.12  0.89  1.0

data_NiC
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC
_chemical_formula_sum   'Ni4 C4'
_cell_volume   66.89
_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  Ni0  1  0.0  0.0  0.27  1.0
  Ni  Ni1  1  0.0  0.0  0.82  1.0
  Ni  Ni2  1  0.0  0.25  0.27  1.0
  Ni  Ni3  1  0.95  0.12  0.82  1.0
  C  C4  1  0.0  0.25  0.21  1.0
  C  C5  1  0.0  0.25  0.44  1.0
  C  C6  1  0.95  0.12  0.66  1.0
  C  C7  1  0.95  0.12  0.89  1.0

Ni Ni Ni Ni C C C C
Ni Ni Ni Ni C C C C 0 5 o o o 0 3 o o o 1 7 - o o 1 2 - o o 2 7 o o o 2 4 o o o 3 5 o o o 3 6 o o o 