data_SiNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi5
_chemical_formula_sum   'Si1 Ni5'
_cell_volume   64.42
_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  Si5  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.77  0.54  0.77  1.0
  Ni  Ni1  1  0.77  0.31  0.0  1.0
  Ni  Ni2  1  0.77  0.0  0.77  1.0
  Ni  Ni3  1  0.77  0.69  0.0  1.0
  Ni  Ni4  1  0.77  0.46  0.77  1.0

data_SiNi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   5.46
_cell_angle_alpha   108.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi5
_chemical_formula_sum   'Si1 Ni5'
_cell_volume   64.42
_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  Si0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  -0.0  0.69  0.46  1.0
  Ni  Ni2  1  -0.0  0.31  0.07  1.0
  Ni  Ni3  1  0.77  0.0  0.77  1.0
  Ni  Ni4  1  0.77  0.46  0.23  1.0
  Ni  Ni5  1  0.77  0.54  0.31  1.0

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