data_Ni5C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.94
_cell_angle_alpha   103.03
_cell_angle_beta   103.03
_cell_angle_gamma   34.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5C
_chemical_formula_sum   'Ni5 C1'
_cell_volume   59.84
_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  Ni1  1  0.42  0.0  0.27  1.0
  Ni  Ni2  1  0.73  0.0  0.37  1.0
  Ni  Ni3  1  0.19  0.0  0.1  1.0
  Ni  Ni4  1  0.54  0.0  0.25  1.0
  Ni  Ni5  1  0.91  0.0  0.54  1.0
  C  C0  1  0.53  0.0  0.59  1.0

data_Ni5C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.25
_cell_length_c   5.94
_cell_angle_alpha   103.03
_cell_angle_beta   90.0
_cell_angle_gamma   107.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5C
_chemical_formula_sum   'Ni5 C1'
_cell_volume   59.84
_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  0.09  0.46  1.0
  Ni  Ni1  1  0.0  0.27  0.63  1.0
  Ni  Ni2  1  0.0  0.46  0.75  1.0
  Ni  Ni3  1  0.0  0.58  0.73  1.0
  Ni  Ni4  1  0.0  0.81  0.9  1.0
  C  C5  1  0.0  0.47  0.41  1.0

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