data_ZnNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi5
_chemical_formula_sum   'Zn1 Ni5'
_cell_volume   67.1
_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
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.86  0.0  0.05  1.0
  Ni  Ni1  1  0.74  0.29  0.05  1.0
  Ni  Ni2  1  0.57  0.47  0.05  1.0
  Ni  Ni3  1  0.17  0.25  0.0  1.0
  Ni  Ni4  1  0.0  0.51  0.0  1.0

data_ZnNi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi5
_chemical_formula_sum   'Zn1 Ni5'
_cell_volume   67.1
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  -0.0  0.51  1.0
  Ni  Ni2  1  0.0  0.17  0.25  1.0
  Ni  Ni3  1  0.05  0.57  0.47  1.0
  Ni  Ni4  1  0.05  0.74  0.29  1.0
  Ni  Ni5  1  0.05  0.86  0.0  1.0

Zn Ni Ni Ni Ni Ni
Zn Ni Ni Ni Ni Ni 0 1 - o o 0 4 o o o 2 5 + o o 2 3 o o o 3 4 o o o 