data_Ni5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.17
_cell_angle_alpha   105.97
_cell_angle_beta   105.97
_cell_angle_gamma   49.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Sb
_chemical_formula_sum   'Ni5 Sb1'
_cell_volume   73.16
_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
  Ni  Ni0  1  0.61  0.0  0.36  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.83  0.0  0.57  1.0
  Ni  Ni3  1  0.04  0.0  0.17  1.0
  Ni  Ni4  1  0.4  0.0  0.76  1.0
  Sb  Sb5  1  0.22  0.0  0.46  1.0

data_Ni5Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.41
_cell_length_c   5.17
_cell_angle_alpha   105.97
_cell_angle_beta   90.0
_cell_angle_gamma   114.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Sb
_chemical_formula_sum   'Ni5 Sb1'
_cell_volume   73.16
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.17  0.43  1.0
  Ni  Ni2  1  0.0  0.39  0.64  1.0
  Ni  Ni3  1  0.0  0.6  0.24  1.0
  Ni  Ni4  1  0.0  0.96  0.83  1.0
  Sb  Sb5  1  0.0  0.78  0.54  1.0

Ni Ni Ni Ni Ni Sb