data_Zr5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   6.55
_cell_length_c   5.07
_cell_angle_alpha   75.04
_cell_angle_beta   61.87
_cell_angle_gamma   43.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Ni3
_chemical_formula_sum   'Zr5 Ni3'
_cell_volume   141.92
_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  Zr3  1  0.39  0.21  0.78  1.0
  Zr  Zr4  1  0.93  0.14  0.25  1.0
  Zr  Zr5  1  0.93  0.14  0.46  1.0
  Zr  Zr6  1  0.46  0.07  0.93  1.0
  Zr  Zr7  1  0.93  0.14  0.39  1.0
  Ni  Ni0  1  0.46  0.07  0.85  1.0
  Ni  Ni1  1  0.93  0.14  0.32  1.0
  Ni  Ni2  1  0.46  0.07  0.0  1.0

data_Zr5Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.55
_cell_angle_alpha   104.96
_cell_angle_beta   104.96
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Ni3
_chemical_formula_sum   'Zr5 Ni3'
_cell_volume   141.92
_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  0.07  0.46  0.53  1.0
  Zr  Zr1  1  0.14  0.31  0.07  1.0
  Zr  Zr2  1  0.14  0.46  0.07  1.0
  Zr  Zr3  1  0.14  0.53  0.07  1.0
  Zr  Zr4  1  0.21  0.38  0.6  1.0
  Ni  Ni5  1  0.07  0.39  0.53  1.0
  Ni  Ni6  1  0.07  0.53  0.53  1.0
  Ni  Ni7  1  0.14  0.39  0.07  1.0

Zr Zr Zr Zr Zr Ni Ni Ni