data_Nb5Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.51
_cell_angle_alpha   106.65
_cell_angle_beta   106.65
_cell_angle_gamma   38.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Si
_chemical_formula_sum   'Nb5 Si1'
_cell_volume   104.27
_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
  Nb  Nb0  1  0.89  0.0  0.02  1.0
  Nb  Nb1  1  0.01  0.0  0.1  1.0
  Nb  Nb2  1  0.01  0.0  0.18  1.0
  Nb  Nb3  1  0.84  0.0  0.99  1.0
  Nb  Nb4  1  0.06  0.0  0.21  1.0
  Si  Si5  1  0.0  0.0  0.0  1.0

data_Nb5Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.22
_cell_length_c   6.51
_cell_angle_alpha   106.65
_cell_angle_beta   90.0
_cell_angle_gamma   109.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Si
_chemical_formula_sum   'Nb5 Si1'
_cell_volume   104.27
_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
  Nb  Nb0  1  0.0  0.11  0.98  1.0
  Nb  Nb1  1  0.0  0.16  0.01  1.0
  Nb  Nb2  1  0.0  0.94  0.79  1.0
  Nb  Nb3  1  0.0  0.99  0.9  1.0
  Nb  Nb4  1  0.0  0.99  0.82  1.0
  Si  Si5  1  0.0  0.0  0.0  1.0

Nb Nb Nb Nb Nb Si