data_CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi
_chemical_formula_sum   'Co3 Ni3'
_cell_volume   60.37
_cell_formula_units_Z   3
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  0.22  0.93  1.0
  Co  Co2  1  0.0  0.0  0.36  1.0
  Ni  Ni3  1  0.92  0.11  0.14  1.0
  Ni  Ni4  1  0.0  0.22  0.57  1.0
  Ni  Ni5  1  0.92  0.11  0.79  1.0

data_CoNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi
_chemical_formula_sum   'Co3 Ni3'
_cell_volume   60.37
_cell_formula_units_Z   3
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  0.22  0.93  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  0.22  0.57  1.0
  Ni  Ni4  1  0.92  0.11  0.14  1.0
  Ni  Ni5  1  0.92  0.11  0.79  1.0

Co Co Co Ni Ni Ni
Co Co Co Ni Ni Ni 0 1 o o - 0 3 - o o 1 5 - o o 1 3 - o + 2 3 - o o 2 4 o o o 4 5 - o o 