data_ZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   2.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2
_chemical_formula_sum   'Zn3 Ni6'
_cell_volume   105.74
_cell_formula_units_Z   3
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  Zn6  1  0.0  0.0  0.0  1.0
  Zn  Zn7  1  0.0  0.01  0.27  1.0
  Zn  Zn8  1  0.47  0.0  0.27  1.0
  Ni  Ni0  1  0.94  0.84  0.27  1.0
  Ni  Ni1  1  0.78  0.84  0.0  1.0
  Ni  Ni2  1  0.12  0.0  0.27  1.0
  Ni  Ni3  1  0.41  0.18  0.27  1.0
  Ni  Ni4  1  0.44  0.0  0.0  1.0
  Ni  Ni5  1  0.25  0.17  0.0  1.0

data_ZnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2
_chemical_formula_sum   'Zn3 Ni6'
_cell_volume   105.74
_cell_formula_units_Z   3
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  Zn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.27  0.0  0.01  1.0
  Zn  Zn2  1  0.27  0.47  0.0  1.0
  Ni  Ni3  1  -0.0  0.44  0.0  1.0
  Ni  Ni4  1  -0.0  0.25  0.17  1.0
  Ni  Ni5  1  0.0  0.78  0.84  1.0
  Ni  Ni6  1  0.27  0.12  0.0  1.0
  Ni  Ni7  1  0.27  0.41  0.18  1.0
  Ni  Ni8  1  0.27  0.94  0.84  1.0

Zn Zn Zn Ni Ni Ni Ni Ni Ni
Zn Zn Zn Ni Ni Ni Ni Ni Ni 0 1 o o o 0 3 - - o 0 4 - - o 1 3 - - o 1 4 - - o 1 5 o o o 2 7 o o o 2 6 o o o 3 4 o o o 3 5 + + o 5 8 o o o 6 8 o o o 6 7 o o o 