data_NaSr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   39.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Ag
_chemical_formula_sum   'Na1 Sr2 Ag1'
_cell_volume   149.84
_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
  Na  Na1  1  0.0  0.0  0.08  1.0
  Sr  Sr2  1  0.51  0.0  0.6  1.0
  Sr  Sr3  1  0.0  0.0  0.84  1.0
  Ag  Ag0  1  0.51  0.0  0.27  1.0

data_NaSr2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.64
_cell_length_b   5.01
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaSr2Ag
_chemical_formula_sum   'Na1 Sr2 Ag1'
_cell_volume   149.84
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Na  Na0  1  0.92  0.0  0.92  1.0
  Sr  Sr1  1  0.16  0.0  0.16  1.0
  Sr  Sr2  1  0.4  0.5  0.4  1.0
  Ag  Ag3  1  0.73  0.5  0.73  1.0

Na Sr Sr Ag
Na Sr Sr Ag 0 2 o o - 1 3 o o o 