data_Nb3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   9.97
_cell_angle_alpha   160.72
_cell_angle_beta   160.72
_cell_angle_gamma   27.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Si4
_chemical_formula_sum   'Nb3 Si4'
_cell_volume   107.81
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.76  1.0
  Nb  Nb2  1  0.0  0.0  0.6  1.0
  Si  Si3  1  0.0  0.0  0.63  1.0
  Si  Si4  1  0.0  0.0  0.74  1.0
  Si  Si5  1  0.0  0.0  0.05  1.0
  Si  Si6  1  0.0  0.0  0.32  1.0

data_Nb3Si4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   103.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb3Si4
_chemical_formula_sum   'Nb6 Si8'
_cell_volume   215.62
_cell_formula_units_Z   2
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  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.24  1.0
  Nb  Nb2  2  0.0  0.0  0.4  1.0
  Si  Si3  2  0.0  0.0  0.26  1.0
  Si  Si4  2  0.0  0.0  0.37  1.0
  Si  Si5  2  0.0  0.0  0.68  1.0
  Si  Si6  2  0.0  0.0  0.95  1.0

Nb Nb Nb Si Si Si Si