data_NbInOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.22
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInOs2
_chemical_formula_sum   'Nb1 In1 Os2'
_cell_volume   67.52
_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  0.38  0.0  0.78  1.0
  Os  Os2  1  0.87  0.11  0.3  1.0
  Os  Os3  1  0.78  0.11  0.26  1.0

data_NbInOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.22
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInOs2
_chemical_formula_sum   'Nb1 In1 Os2'
_cell_volume   67.52
_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  0.38  0.0  0.78  1.0
  Os  Os2  1  0.78  0.11  0.26  1.0
  Os  Os3  1  0.87  0.11  0.3  1.0

Nb In Os Os
Nb In Os Os 0 1 - o - 0 1 o o - 0 3 - o o 0 2 - o o 2 3 o o o 