data_CoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2
_chemical_formula_sum   'Co2 Ni4'
_cell_volume   60.37
_cell_formula_units_Z   2
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  0.92  0.92  0.0  1.0
  Co  Co1  1  0.92  0.08  0.0  1.0
  Ni  Ni2  1  0.92  0.0  0.36  1.0
  Ni  Ni3  1  0.92  0.15  0.36  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.92  0.85  0.36  1.0

data_CoNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   3.85
_cell_length_c   6.08
_cell_angle_alpha   108.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2
_chemical_formula_sum   'Co2 Ni4'
_cell_volume   60.37
_cell_formula_units_Z   2
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  0.08  0.0  1.0
  Co  Co1  1  0.0  0.92  0.85  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.36  0.0  0.92  1.0
  Ni  Ni4  1  0.36  0.15  0.08  1.0
  Ni  Ni5  1  0.36  0.85  0.77  1.0

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