data_CoCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.33
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   33.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuNi2
_chemical_formula_sum   'Co1 Cu1 Ni2'
_cell_volume   44.08
_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  0.76  0.0  0.09  1.0
  Cu  Cu1  1  0.52  0.0  0.21  1.0
  Ni  Ni2  1  0.28  0.0  0.26  1.0
  Ni  Ni3  1  0.05  0.0  0.09  1.0

data_CoCuNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   4.33
_cell_length_c   4.34
_cell_angle_alpha   99.44
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuNi2
_chemical_formula_sum   'Co1 Cu1 Ni2'
_cell_volume   44.08
_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  0.09  0.76  1.0
  Cu  Cu1  1  0.0  0.21  0.52  1.0
  Ni  Ni2  1  0.0  0.09  0.05  1.0
  Ni  Ni3  1  0.0  0.26  0.28  1.0

Co Cu Ni Ni
Co Cu Ni Ni 0 1 o o o 0 3 + o o 1 2 o o o 2 3 o o o 