data_Sr2NbAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.83
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbAg
_chemical_formula_sum   'Sr2 Nb1 Ag1'
_cell_volume   128.03
_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
  Sr  Sr2  1  0.81  0.91  0.58  1.0
  Sr  Sr3  1  0.0  0.0  0.28  1.0
  Nb  Nb1  1  0.0  0.0  0.93  1.0
  Ag  Ag0  1  0.81  0.91  0.09  1.0

data_Sr2NbAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.83
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbAg
_chemical_formula_sum   'Sr2 Nb1 Ag1'
_cell_volume   128.03
_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
  Sr  Sr0  1  0.0  0.0  0.28  1.0
  Sr  Sr1  1  0.81  0.91  0.58  1.0
  Nb  Nb2  1  0.0  0.0  0.93  1.0
  Ag  Ag3  1  0.81  0.91  0.09  1.0

Sr Sr Nb Ag
Sr Sr Nb Ag 0 0 + o o 0 0 o + o 0 1 + + o 0 2 + + o 1 3 - - o 2 3 - - + 