data_Zr3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   17.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ni5
_chemical_formula_sum   'Zr3 Ni5'
_cell_volume   115.74
_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
  Zr  Zr5  1  0.54  0.0  0.68  1.0
  Zr  Zr6  1  0.54  0.0  0.34  1.0
  Zr  Zr7  1  0.0  0.0  0.17  1.0
  Ni  Ni0  1  0.54  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.2  1.0
  Ni  Ni2  1  0.54  0.0  0.02  1.0
  Ni  Ni3  1  0.0  0.0  0.85  1.0
  Ni  Ni4  1  0.0  0.0  0.51  1.0

data_Zr3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   17.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ni5
_chemical_formula_sum   'Zr3 Ni5'
_cell_volume   115.74
_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
  Zr  Zr0  1  0.0  0.0  0.17  1.0
  Zr  Zr1  1  0.53  0.0  0.34  1.0
  Zr  Zr2  1  0.53  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.2  1.0
  Ni  Ni4  1  0.0  0.0  0.51  1.0
  Ni  Ni5  1  0.0  0.0  0.85  1.0
  Ni  Ni6  1  0.53  0.0  0.0  1.0
  Ni  Ni7  1  0.53  0.0  0.02  1.0

Zr Zr Zr Ni Ni Ni Ni Ni