data_Si5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si5Ni3
_chemical_formula_sum   'Si5 Ni3'
_cell_volume   97.72
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Si  Si4  1  0.75  0.82  0.0  1.0
  Si  Si5  1  0.75  0.18  0.0  1.0
  Si  Si6  1  0.9  0.0  0.91  1.0
  Si  Si7  1  0.11  0.0  0.91  1.0
  Ni  Ni0  1  0.51  0.0  0.0  1.0
  Ni  Ni1  1  0.51  0.12  0.91  1.0
  Ni  Ni2  1  0.51  0.88  0.91  1.0

data_Si5Ni3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.82
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Si5Ni3
_chemical_formula_sum   'Si5 Ni3'
_cell_volume   97.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Si  Si0  2  0.0  0.18  0.75  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.91  0.0  0.11  1.0
  Si  Si3  1  0.91  0.0  0.9  1.0
  Ni  Ni4  2  0.91  0.12  0.51  1.0
  Ni  Ni5  1  0.0  0.0  0.51  1.0

Si Si Si Si Si Ni Ni Ni
Si Si Si Si Si Ni Ni Ni 0 3 - o - 0 4 o o - 0 1 - - o 1 7 o o - 1 3 o + - 2 6 o o - 2 5 o o o 2 3 o o - 5 6 o o - 5 7 o - - 