data_BaZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.3
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnNi2
_chemical_formula_sum   'Ba1 Zn1 Ni2'
_cell_volume   78.22
_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
  Ba  Ba0  1  0.61  0.15  0.35  1.0
  Zn  Zn3  1  0.0  0.0  0.5  1.0
  Ni  Ni1  1  0.0  0.0  0.17  1.0
  Ni  Ni2  1  0.61  0.15  0.45  1.0

data_BaZnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.3
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnNi2
_chemical_formula_sum   'Ba1 Zn1 Ni2'
_cell_volume   78.22
_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
  Ba  Ba0  1  0.61  0.15  0.35  1.0
  Zn  Zn1  1  0.0  0.0  0.5  1.0
  Ni  Ni2  1  0.0  0.0  0.17  1.0
  Ni  Ni3  1  0.61  0.15  0.45  1.0

Ba Zn Ni Ni
Ba Zn Ni Ni 0 3 o o o 0 1 + o o 0 2 + o o 1 3 - o o 1 2 o o o 2 3 - o o 