data_Zr8Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   95.31
_cell_angle_beta   95.31
_cell_angle_gamma   144.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ag
_chemical_formula_sum   'Zr8 Ag1'
_cell_volume   203.09
_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
  Zr  Zr1  1  0.22  0.0  0.0  1.0
  Zr  Zr2  1  0.44  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.22  0.0  1.0
  Zr  Zr4  1  0.21  0.21  0.0  1.0
  Zr  Zr5  1  0.62  0.38  0.18  1.0
  Zr  Zr6  1  0.0  0.44  0.0  1.0
  Zr  Zr7  1  0.38  0.62  0.18  1.0
  Zr  Zr8  1  0.62  0.62  0.18  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Zr8Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   13.65
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   107.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr8Ag
_chemical_formula_sum   'Zr16 Ag2'
_cell_volume   406.18
_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
  Zr  Zr0  4  -0.0  0.38  0.82  1.0
  Zr  Zr1  4  0.28  0.28  0.0  1.0
  Zr  Zr2  4  0.39  0.39  0.0  1.0
  Zr  Zr3  2  0.29  0.5  0.0  1.0
  Zr  Zr4  2  0.38  0.0  0.82  1.0
  Ag  Ag5  2  0.0  0.0  0.0  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Ag
Zr Zr Zr Zr Zr Zr Zr Zr Ag 0 3 o o o 0 8 o o o 0 1 o o o 0 4 o o o 1 4 o o o 2 5 o o o 2 3 o o o 2 8 o o o 2 6 o o o 3 8 o o o 3 7 o o o 4 7 o o o 5 6 o o o 6 7 o o o 