data_NbSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.75
_cell_angle_alpha   95.79
_cell_angle_beta   95.79
_cell_angle_gamma   39.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2
_chemical_formula_sum   'Nb2 Si4'
_cell_volume   92.11
_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  0.61  0.0  0.71  1.0
  Nb  Nb1  1  0.5  0.0  0.7  1.0
  Si  Si2  1  0.11  0.0  0.72  1.0
  Si  Si3  1  0.22  0.0  0.96  1.0
  Si  Si4  1  0.7  0.0  0.34  1.0
  Si  Si5  1  0.92  0.0  0.67  1.0

data_NbSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.06
_cell_length_c   5.75
_cell_angle_alpha   95.79
_cell_angle_beta   90.0
_cell_angle_gamma   109.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2
_chemical_formula_sum   'Nb2 Si4'
_cell_volume   92.11
_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  0.39  0.29  1.0
  Nb  Nb1  1  0.0  0.5  0.3  1.0
  Si  Si2  1  0.0  0.08  0.33  1.0
  Si  Si3  1  0.0  0.3  0.66  1.0
  Si  Si4  1  0.0  0.78  0.04  1.0
  Si  Si5  1  0.0  0.89  0.28  1.0

Nb Nb Si Si Si Si