data_Co3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   2.43
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni5
_chemical_formula_sum   'Co3 Ni5'
_cell_volume   80.71
_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  0.1  0.21  0.0  1.0
  Co  Co1  1  0.3  0.21  0.96  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.8  0.0  0.98  1.0
  Ni  Ni4  1  0.0  0.0  0.94  1.0
  Ni  Ni5  1  0.7  0.21  0.98  1.0
  Ni  Ni6  1  0.4  0.0  0.96  1.0
  Ni  Ni7  1  0.1  0.21  0.94  1.0

data_Co3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.43
_cell_length_b   4.2
_cell_length_c   8.04
_cell_angle_alpha   100.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni5
_chemical_formula_sum   'Co3 Ni5'
_cell_volume   80.71
_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  0.79  0.7  0.04  1.0
  Co  Co2  1  0.79  0.9  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.06  1.0
  Ni  Ni4  1  0.0  0.2  0.02  1.0
  Ni  Ni5  1  0.0  0.6  0.04  1.0
  Ni  Ni6  1  0.79  0.3  0.02  1.0
  Ni  Ni7  1  0.79  0.9  0.06  1.0

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