data_NbInSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.55
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   92.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInSi2
_chemical_formula_sum   'Nb1 In1 Si2'
_cell_volume   74.4
_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  Nb1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.84  0.0  0.22  1.0
  Si  Si2  1  0.58  0.77  0.33  1.0
  Si  Si3  1  0.36  0.77  0.1  1.0

data_NbInSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.55
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   92.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInSi2
_chemical_formula_sum   'Nb1 In1 Si2'
_cell_volume   74.4
_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
  In  In1  1  0.84  0.0  0.22  1.0
  Si  Si2  1  0.36  0.77  0.1  1.0
  Si  Si3  1  0.58  0.77  0.33  1.0

Nb In Si Si