data_Sr5Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Ag
_chemical_formula_sum   'Sr5 Ag1'
_cell_volume   351.42
_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  Sr1  1  0.82  0.21  0.0  1.0
  Sr  Sr2  1  0.0  0.41  0.0  1.0
  Sr  Sr3  1  0.09  0.31  0.47  1.0
  Sr  Sr4  1  0.91  0.31  0.47  1.0
  Sr  Sr5  1  0.82  0.0  0.47  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Sr5Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.95
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Ag
_chemical_formula_sum   'Sr5 Ag1'
_cell_volume   351.42
_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  0.41  1.0
  Sr  Sr1  1  0.0  0.82  0.21  1.0
  Sr  Sr2  1  0.47  0.09  0.31  1.0
  Sr  Sr3  1  0.47  0.82  0.0  1.0
  Sr  Sr4  1  0.47  0.91  0.31  1.0
  Ag  Ag5  1  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Sr Ag
Sr Sr Sr Sr Sr Ag 0 1 + o o 0 5 + o o 2 3 - o o 2 4 - o o 3 4 o o o 