data_Zr3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08
_cell_length_b   9.08
_cell_length_c   2.66
_cell_angle_alpha   95.6
_cell_angle_beta   95.6
_cell_angle_gamma   145.95
_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  0.66  0.34  0.0  1.0
  Zr  Zr6  1  0.66  0.0  0.0  1.0
  Zr  Zr7  1  0.66  0.66  0.0  1.0
  Ni  Ni0  1  0.54  0.83  0.25  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.89  0.17  0.25  1.0
  Ni  Ni3  1  0.89  0.83  0.25  1.0
  Ni  Ni4  1  0.54  0.17  0.25  1.0

data_Zr3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   5.09
_cell_length_c   9.08
_cell_angle_alpha   104.76
_cell_angle_beta   95.6
_cell_angle_gamma   100.02
_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  0.66  1.0
  Zr  Zr1  1  0.34  0.34  0.0  1.0
  Zr  Zr2  1  0.66  0.66  0.32  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.08  0.83  0.72  1.0
  Ni  Ni5  1  0.08  0.83  0.37  1.0
  Ni  Ni6  1  0.42  0.17  0.06  1.0
  Ni  Ni7  1  0.42  0.17  0.72  1.0

Zr Zr Zr Ni Ni Ni Ni Ni