data_Co5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.86
_cell_length_b   15.86
_cell_length_c   15.86
_cell_angle_alpha   8.75
_cell_angle_beta   8.75
_cell_angle_gamma   8.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co5Ni3
_chemical_formula_sum   'Co5 Ni3'
_cell_volume   80.0
_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  0.0  1.0
  Co  Co1  1  0.0  0.0  0.77  1.0
  Co  Co2  1  0.0  0.0  0.54  1.0
  Co  Co3  1  0.0  0.0  0.69  1.0
  Co  Co4  1  0.0  0.0  0.47  1.0
  Ni  Ni5  1  0.0  0.0  0.92  1.0
  Ni  Ni6  1  0.0  0.0  0.85  1.0
  Ni  Ni7  1  0.0  0.0  0.62  1.0

data_Co5Ni3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   2.42
_cell_length_c   15.86
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co5Ni3
_chemical_formula_sum   'Co10 Ni6'
_cell_volume   160.01
_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
  Co  Co0  2  -0.0  0.0  0.53  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Co  Co2  2  0.0  0.0  0.23  1.0
  Co  Co3  2  0.0  0.0  0.31  1.0
  Co  Co4  2  0.0  0.0  0.46  1.0
  Ni  Ni5  2  0.0  0.0  0.08  1.0
  Ni  Ni6  2  0.0  0.0  0.15  1.0
  Ni  Ni7  2  0.0  0.0  0.38  1.0

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