data_Zn3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Ni5
_chemical_formula_sum   'Zn3 Ni5'
_cell_volume   93.85
_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  0.39  0.0  0.0  1.0
  Zn  Zn6  1  0.39  0.07  0.86  1.0
  Zn  Zn7  1  0.39  0.93  0.86  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.69  0.14  0.0  1.0
  Ni  Ni2  1  0.69  0.86  0.0  1.0
  Ni  Ni3  1  0.06  0.0  0.86  1.0
  Ni  Ni4  1  0.71  0.0  0.86  1.0

data_Zn3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   95.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Ni5
_chemical_formula_sum   'Zn3 Ni5'
_cell_volume   93.85
_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  0.39  0.0  1.0
  Zn  Zn1  1  0.86  0.39  0.07  1.0
  Zn  Zn2  1  0.86  0.39  0.93  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.0  0.69  0.14  1.0
  Ni  Ni5  1  0.0  0.69  0.86  1.0
  Ni  Ni6  1  0.86  0.06  0.0  1.0
  Ni  Ni7  1  0.86  0.71  0.0  1.0

Zn Zn Zn Ni Ni Ni Ni Ni