data_Co3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   50.48
_cell_angle_beta   50.48
_cell_angle_gamma   50.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni2
_chemical_formula_sum   'Co3 Ni2'
_cell_volume   50.31
_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  0.42  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.36  1.0
  Ni  Ni3  1  0.0  0.0  0.71  1.0
  Ni  Ni4  1  0.0  0.0  0.07  1.0

data_Co3Ni2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.66
_cell_length_b   3.85
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   119.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co3Ni2
_chemical_formula_sum   'Co6 Ni4'
_cell_volume   100.62
_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  0.36  1.0
  Co  Co1  2  -0.0  0.0  0.42  1.0
  Co  Co2  2  -0.0  0.0  0.0  1.0
  Ni  Ni3  2  -0.0  0.0  0.07  1.0
  Ni  Ni4  2  -0.0  0.0  0.71  1.0

Co Co Co Ni Ni
Co Co Co Ni Ni 0 2 o o o 0 3 o o o 1 4 o o o 1 3 o o - 