data_Co6Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46
_cell_length_b   8.46
_cell_length_c   8.46
_cell_angle_alpha   31.46
_cell_angle_beta   31.46
_cell_angle_gamma   31.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6Ni7
_chemical_formula_sum   'Co6 Ni7'
_cell_volume   146.41
_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
  Co  Co0  1  0.0  0.0  0.94  1.0
  Co  Co1  1  0.0  0.0  0.17  1.0
  Co  Co2  1  0.0  0.0  0.41  1.0
  Co  Co3  1  0.0  0.0  0.7  1.0
  Co  Co4  1  0.0  0.0  0.01  1.0
  Co  Co5  1  0.0  0.0  0.1  1.0
  Ni  Ni6  1  0.86  0.34  0.99  1.0
  Ni  Ni7  1  0.0  0.31  0.99  1.0
  Ni  Ni8  1  0.14  0.34  0.99  1.0
  Ni  Ni9  1  0.14  0.66  0.12  1.0
  Ni  Ni10  1  0.86  0.66  0.12  1.0
  Ni  Ni11  1  0.0  0.69  0.12  1.0
  Ni  Ni12  1  0.0  0.0  0.0  1.0

data_Co6Ni7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   8.46
_cell_angle_alpha   74.27
_cell_angle_beta   74.27
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6Ni7
_chemical_formula_sum   'Co6 Ni7'
_cell_volume   146.41
_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
  Co  Co0  1  0.0  0.06  0.94  1.0
  Co  Co1  1  0.0  0.3  0.7  1.0
  Co  Co2  1  0.0  0.59  0.41  1.0
  Co  Co3  1  0.0  0.83  0.17  1.0
  Co  Co4  1  0.0  0.9  0.1  1.0
  Co  Co5  1  0.0  0.99  0.01  1.0
  Ni  Ni6  1  0.0  0.0  0.0  1.0
  Ni  Ni7  1  0.31  0.88  0.8  1.0
  Ni  Ni8  1  0.34  0.88  0.64  1.0
  Ni  Ni9  1  0.34  0.88  0.91  1.0
  Ni  Ni10  1  0.66  0.01  0.2  1.0
  Ni  Ni11  1  0.66  0.01  0.47  1.0
  Ni  Ni12  1  0.69  0.01  0.3  1.0

Co Co Co Co Co Co Ni Ni Ni Ni Ni Ni Ni
Co Co Co Co Co Co Ni Ni Ni Ni Ni Ni Ni 0 12 o o + 0 4 o o + 0 3 o o o 1 5 o o o 1 2 o o o 2 8 o o - 2 7 o o - 3 11 o - + 3 10 - - + 4 12 o o o 6 7 + o o 7 8 o o o 9 11 o o o 10 11 + o o 