data_Nb2GaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.7
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaOs
_chemical_formula_sum   'Nb2 Ga1 Os1'
_cell_volume   65.81
_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  Nb1  1  0.53  0.85  0.69  1.0
  Nb  Nb2  1  0.0  0.0  0.52  1.0
  Ga  Ga0  1  0.0  0.0  0.29  1.0
  Os  Os3  1  0.53  0.85  0.99  1.0

data_Nb2GaOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.7
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaOs
_chemical_formula_sum   'Nb2 Ga1 Os1'
_cell_volume   65.81
_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  0.52  1.0
  Nb  Nb1  1  0.53  0.85  0.69  1.0
  Ga  Ga2  1  0.0  0.0  0.29  1.0
  Os  Os3  1  0.53  0.85  0.99  1.0

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