data_Nb2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56
_cell_length_b   9.56
_cell_length_c   9.56
_cell_angle_alpha   159.61
_cell_angle_beta   159.61
_cell_angle_gamma   29.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Si
_chemical_formula_sum   'Nb4 Si2'
_cell_volume   105.95
_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
  Nb  Nb0  1  0.0  0.0  0.5  1.0
  Nb  Nb1  1  0.69  0.0  0.38  1.0
  Nb  Nb2  1  0.0  0.0  0.01  1.0
  Nb  Nb3  1  0.69  0.0  0.87  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.0  0.69  0.63  1.0

data_Nb2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.56
_cell_angle_alpha   100.2
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Si
_chemical_formula_sum   'Nb4 Si2'
_cell_volume   105.95
_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
  Nb  Nb0  1  0.01  0.01  0.01  1.0
  Nb  Nb1  1  0.38  0.69  0.69  1.0
  Nb  Nb2  1  0.5  0.5  0.5  1.0
  Nb  Nb3  1  0.87  0.18  0.18  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.93  0.63  0.93  1.0

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