data_NbGaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.09
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaOs2
_chemical_formula_sum   'Nb1 Ga1 Os2'
_cell_volume   61.17
_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  0.42  0.05  0.97  1.0
  Ga  Ga0  1  0.0  0.0  0.57  1.0
  Os  Os2  1  0.0  0.0  0.26  1.0
  Os  Os3  1  0.42  0.05  0.39  1.0

data_NbGaOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.09
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaOs2
_chemical_formula_sum   'Nb1 Ga1 Os2'
_cell_volume   61.17
_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  0.42  0.05  0.97  1.0
  Ga  Ga1  1  0.0  0.0  0.57  1.0
  Os  Os2  1  0.0  0.0  0.26  1.0
  Os  Os3  1  0.42  0.05  0.39  1.0

Nb Ga Os Os
Nb Ga Os Os 0 1 o o o 0 2 o o + 0 2 + o + 0 3 o o + 1 3 o o o 1 2 o o o 2 3 o o o 