data_NbAgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66
_cell_length_b   9.66
_cell_length_c   9.66
_cell_angle_alpha   16.59
_cell_angle_beta   16.59
_cell_angle_gamma   16.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAgOs2
_chemical_formula_sum   'Nb1 Ag1 Os2'
_cell_volume   64.13
_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  0.25  1.0
  Ag  Ag0  1  0.0  0.0  0.23  1.0
  Os  Os2  1  0.0  0.0  0.13  1.0
  Os  Os3  1  0.0  0.0  0.28  1.0

data_NbAgOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAgOs2
_chemical_formula_sum   'Nb2 Ag2 Os4'
_cell_volume   128.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.75  1.0
  Ag  Ag1  2  -0.0  0.0  0.77  1.0
  Os  Os2  2  -0.0  0.0  0.72  1.0
  Os  Os3  2  -0.0  0.0  0.87  1.0

Nb Ag Os Os