data_SiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   155.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2
_chemical_formula_sum   'Si2 Ni4'
_cell_volume   68.13
_cell_formula_units_Z   2
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  Si4  1  0.31  0.56  0.21  1.0
  Si  Si5  1  0.31  0.44  0.07  1.0
  Ni  Ni0  1  0.31  0.43  0.21  1.0
  Ni  Ni1  1  0.31  0.57  0.21  1.0
  Ni  Ni2  1  0.31  0.43  0.07  1.0
  Ni  Ni3  1  0.31  0.57  0.07  1.0

data_SiNi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.61
_cell_length_b   4.28
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   102.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SiNi2
_chemical_formula_sum   'Si2 Ni4'
_cell_volume   68.13
_cell_formula_units_Z   2
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  0.44  0.57  0.94  1.0
  Ni  Ni1  2  0.43  0.57  0.93  1.0
  Ni  Ni2  2  0.43  0.43  0.93  1.0

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