data_Zr3Ag5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   8.25
_cell_angle_alpha   95.85
_cell_angle_beta   95.85
_cell_angle_gamma   142.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ag5
_chemical_formula_sum   'Zr6 Ag10'
_cell_volume   321.87
_cell_formula_units_Z   2
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  Zr10  1  0.58  0.95  0.0  1.0
  Zr  Zr11  1  0.0  0.0  0.32  1.0
  Zr  Zr12  1  0.58  0.05  0.63  1.0
  Zr  Zr13  1  0.95  0.48  0.0  1.0
  Zr  Zr14  1  0.0  0.0  0.95  1.0
  Zr  Zr15  1  0.95  0.58  0.63  1.0
  Ag  Ag0  1  0.31  0.76  0.0  1.0
  Ag  Ag1  1  0.76  0.74  0.0  1.0
  Ag  Ag2  1  0.53  0.0  0.32  1.0
  Ag  Ag3  1  0.29  0.78  0.0  1.0
  Ag  Ag4  1  0.78  0.77  0.0  1.0
  Ag  Ag5  1  0.74  0.76  0.63  1.0
  Ag  Ag6  1  0.24  0.74  0.63  1.0
  Ag  Ag7  1  0.0  0.53  0.32  1.0
  Ag  Ag8  1  0.77  0.78  0.63  1.0
  Ag  Ag9  1  0.22  0.77  0.63  1.0

data_Zr3Ag5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   8.25
_cell_length_c   8.25
_cell_angle_alpha   84.15
_cell_angle_beta   71.38
_cell_angle_gamma   71.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ag5
_chemical_formula_sum   'Zr6 Ag10'
_cell_volume   321.87
_cell_formula_units_Z   2
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  0.0  0.0  0.05  1.0
  Zr  Zr1  1  0.0  0.0  0.68  1.0
  Zr  Zr2  1  0.05  0.53  0.37  1.0
  Zr  Zr3  1  0.48  0.47  -0.0  1.0
  Zr  Zr4  1  0.58  0.37  0.37  1.0
  Zr  Zr5  1  0.95  0.63  0.0  1.0
  Ag  Ag6  1  0.0  0.53  0.68  1.0
  Ag  Ag7  1  0.53  0.47  0.68  1.0
  Ag  Ag8  1  0.74  0.02  0.0  1.0
  Ag  Ag9  1  0.74  0.5  0.37  1.0
  Ag  Ag10  1  0.76  0.55  0.0  1.0
  Ag  Ag11  1  0.76  0.98  0.37  1.0
  Ag  Ag12  1  0.77  0.02  0.0  1.0
  Ag  Ag13  1  0.77  0.45  0.37  1.0
  Ag  Ag14  1  0.78  0.5  0.0  1.0
  Ag  Ag15  1  0.78  0.98  0.37  1.0

Zr Zr Zr Zr Zr Zr Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag
Zr Zr Zr Zr Zr Zr Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag 0 9 o o o 0 6 o o o 0 8 o + o 1 10 - - o 1 7 - - o 1 4 o o - 2 15 o - o 2 12 o - o 2 8 o o o 3 9 + o o 3 6 + o o 3 13 + o o 4 10 - - + 4 7 - - + 5 15 + o o 5 12 + o o 5 13 + o o 6 9 o o o 6 8 o + o 7 10 o o o 8 9 o - o 8 13 o - o 8 13 + o o 11 14 o o o 12 15 o o o 12 13 o o o 13 15 o o o 