data_Zr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.74
_cell_length_b   13.74
_cell_length_c   13.74
_cell_angle_alpha   161.8
_cell_angle_beta   161.8
_cell_angle_gamma   25.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ag
_chemical_formula_sum   'Zr8 Ag4'
_cell_volume   252.77
_cell_formula_units_Z   4
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  Zr4  1  0.0  0.0  0.81  1.0
  Zr  Zr5  1  0.0  0.0  0.96  1.0
  Zr  Zr6  1  0.17  0.0  0.12  1.0
  Zr  Zr7  1  0.17  0.0  0.27  1.0
  Zr  Zr8  1  0.0  0.0  0.1  1.0
  Zr  Zr9  1  0.0  0.0  0.68  1.0
  Zr  Zr10  1  0.17  0.0  0.41  1.0
  Zr  Zr11  1  0.17  0.0  0.98  1.0
  Ag  Ag0  1  0.0  0.0  0.28  1.0
  Ag  Ag1  1  0.0  0.0  0.49  1.0
  Ag  Ag2  1  0.0  0.17  0.98  1.0
  Ag  Ag3  1  0.0  0.17  0.41  1.0

data_Zr2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   13.74
_cell_angle_alpha   99.1
_cell_angle_beta   99.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ag
_chemical_formula_sum   'Zr8 Ag4'
_cell_volume   252.77
_cell_formula_units_Z   4
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  Zr0  1  0.02  0.0  0.19  1.0
  Zr  Zr1  1  0.04  0.0  0.04  1.0
  Zr  Zr2  1  0.19  0.0  0.19  1.0
  Zr  Zr3  1  0.32  0.0  0.32  1.0
  Zr  Zr4  1  0.59  0.0  0.77  1.0
  Zr  Zr5  1  0.73  0.0  0.9  1.0
  Zr  Zr6  1  0.88  0.0  0.05  1.0
  Zr  Zr7  1  0.9  0.0  0.9  1.0
  Ag  Ag8  1  0.19  0.17  0.19  1.0
  Ag  Ag9  1  0.51  0.0  0.51  1.0
  Ag  Ag10  1  0.72  0.0  0.72  1.0
  Ag  Ag11  1  0.76  0.17  0.76  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Ag Ag Ag Ag
Zr Zr Zr Zr Zr Zr Zr Zr Ag Ag Ag Ag 0 10 o o o 0 7 o o o 0 5 o o o 1 2 o o + 3 4 o o o 5 10 o o o 5 7 o o o 5 9 o o o 6 11 o o o 6 8 o o o 8 11 o o o 8 9 o o o 