data_CuSiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   144.54
_cell_angle_beta   136.17
_cell_angle_gamma   57.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiNi
_chemical_formula_sum   'Cu1 Si1 Ni1'
_cell_volume   34.23
_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
  Cu  Cu0  1  0.0  0.0  0.72  1.0
  Si  Si2  1  0.0  0.0  0.52  1.0
  Ni  Ni1  1  0.0  0.0  0.23  1.0

data_CuSiNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.29
_cell_length_c   4.41
_cell_angle_alpha   111.91
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiNi
_chemical_formula_sum   'Cu1 Si1 Ni1'
_cell_volume   34.23
_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
  Cu  Cu0  1  0.28  0.28  0.28  1.0
  Si  Si1  1  0.48  0.48  0.48  1.0
  Ni  Ni2  1  0.77  0.77  0.77  1.0

Cu Si Ni
Cu Si Ni 0 1 o o o 1 2 o o o 