data_Ni5C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   100.96
_cell_angle_beta   100.96
_cell_angle_gamma   128.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5C7
_chemical_formula_sum   'Ni5 C7'
_cell_volume   97.03
_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  Ni7  1  0.0  0.0  0.52  1.0
  Ni  Ni8  1  0.99  0.99  0.11  1.0
  Ni  Ni9  1  0.29  0.29  0.36  1.0
  Ni  Ni10  1  0.29  0.71  0.36  1.0
  Ni  Ni11  1  0.71  0.29  0.36  1.0
  C  C0  1  0.0  0.0  0.15  1.0
  C  C1  1  0.28  0.0  0.17  1.0
  C  C2  1  0.0  0.28  0.17  1.0
  C  C3  1  0.21  0.0  0.04  1.0
  C  C4  1  0.36  0.0  0.04  1.0
  C  C5  1  0.0  0.21  0.04  1.0
  C  C6  1  0.0  0.36  0.04  1.0

data_Ni5C7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   9.29
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   115.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni5C7
_chemical_formula_sum   'Ni10 C14'
_cell_volume   194.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.36  0.29  0.36  1.0
  Ni  Ni1  2  0.02  0.5  0.52  1.0
  Ni  Ni2  2  0.07  0.0  0.36  1.0
  Ni  Ni3  2  0.12  0.0  0.11  1.0
  C  C4  4  0.03  0.14  0.17  1.0
  C  C5  4  0.36  0.32  0.04  1.0
  C  C6  4  0.43  0.39  0.04  1.0
  C  C7  2  0.15  0.0  0.15  1.0

Ni Ni Ni Ni Ni C C C C C C C