data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   2.57
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr1 Ni5'
_cell_volume   71.75
_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  0.22  0.28  0.0  1.0
  Ni  Ni0  1  0.48  0.0  0.1  1.0
  Ni  Ni1  1  0.74  0.28  0.19  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.7  0.28  0.1  1.0
  Ni  Ni4  1  0.96  0.0  0.19  1.0

data_ZrNi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.45
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr1 Ni5'
_cell_volume   71.75
_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  0.72  0.78  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.04  0.81  1.0
  Ni  Ni3  1  0.0  0.52  0.9  1.0
  Ni  Ni4  1  0.72  0.26  0.81  1.0
  Ni  Ni5  1  0.72  0.3  0.9  1.0

Zr Ni Ni Ni Ni Ni