data_NbSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Sb
_chemical_formula_sum   'Nb1 Si2 Sb1'
_cell_volume   70.81
_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
  Si  Si2  1  0.5  0.03  0.49  1.0
  Si  Si3  1  0.5  0.97  0.49  1.0
  Sb  Sb1  1  0.01  0.0  0.0  1.0

data_NbSi2Sb
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.96
_cell_length_b   2.99
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   105.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   NbSi2Sb
_chemical_formula_sum   'Nb1 Si2 Sb1'
_cell_volume   70.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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
  Si  Si1  2  0.5  0.5  0.97  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

Nb Si Si Sb