data_Nb2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   104.89
_cell_angle_beta   104.89
_cell_angle_gamma   119.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Si
_chemical_formula_sum   'Nb4 Si2'
_cell_volume   98.24
_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  0.08  0.99  0.57  1.0
  Nb  Nb1  1  0.01  0.1  0.0  1.0
  Nb  Nb2  1  0.08  0.01  0.0  1.0
  Nb  Nb3  1  0.01  0.08  0.57  1.0
  Si  Si4  1  0.0  0.0  0.29  1.0
  Si  Si5  1  0.0  0.0  0.86  1.0

data_Nb2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   8.74
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   120.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2Si
_chemical_formula_sum   'Nb8 Si4'
_cell_volume   196.48
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.05  0.05  -0.0  1.0
  Nb  Nb1  4  0.47  0.05  0.43  1.0
  Si  Si2  2  0.14  0.0  0.14  1.0
  Si  Si3  2  0.21  0.5  0.71  1.0

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