data_CoCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.35
_cell_angle_alpha   99.2
_cell_angle_beta   99.2
_cell_angle_gamma   32.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Ni
_chemical_formula_sum   'Co1 Cu2 Ni1'
_cell_volume   45.36
_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
  Cu  Cu1  1  0.17  0.0  0.07  1.0
  Cu  Cu2  1  0.57  0.0  0.22  1.0
  Ni  Ni3  1  0.87  0.0  0.15  1.0

data_CoCu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.35
_cell_length_c   4.41
_cell_angle_alpha   99.2
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Ni
_chemical_formula_sum   'Co1 Cu2 Ni1'
_cell_volume   45.36
_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
  Cu  Cu1  1  0.0  0.07  0.17  1.0
  Cu  Cu2  1  0.0  0.22  0.57  1.0
  Ni  Ni3  1  0.0  0.15  0.87  1.0

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