data_ZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.26
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi
_chemical_formula_sum   'Zn2 Ni2'
_cell_volume   48.85
_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
  Zn  Zn2  1  0.0  0.13  0.92  1.0
  Zn  Zn3  1  0.33  0.0  0.4  1.0
  Ni  Ni0  1  0.0  0.0  0.52  1.0
  Ni  Ni1  1  0.33  0.13  0.81  1.0

data_ZnNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.65
_cell_length_b   4.26
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnNi
_chemical_formula_sum   'Zn2 Ni2'
_cell_volume   48.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zn  Zn0  2  0.16  0.94  0.24  1.0
  Ni  Ni1  2  0.16  0.06  0.64  1.0

Zn Zn Ni Ni