data_Sr2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   31.06
_cell_angle_beta   31.06
_cell_angle_gamma   31.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiAg
_chemical_formula_sum   'Sr2 Ni1 Ag1'
_cell_volume   122.65
_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  0.0  0.0  0.95  1.0
  Sr  Sr3  1  0.0  0.0  0.98  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.47  1.0

data_Sr2NiAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.46
_cell_length_b   4.3
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   108.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2NiAg
_chemical_formula_sum   'Sr4 Ni2 Ag2'
_cell_volume   245.3
_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
  Sr  Sr0  2  -0.0  0.0  0.05  1.0
  Sr  Sr1  2  -0.0  0.0  0.02  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Ag  Ag3  2  -0.0  0.0  0.53  1.0

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