data_Zr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   7.75
_cell_angle_alpha   109.98
_cell_angle_beta   109.98
_cell_angle_gamma   32.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ag
_chemical_formula_sum   'Zr4 Ag2'
_cell_volume   128.22
_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  Zr2  1  0.29  0.0  0.78  1.0
  Zr  Zr3  1  0.2  0.0  0.13  1.0
  Zr  Zr4  1  0.07  0.0  0.11  1.0
  Zr  Zr5  1  0.97  0.0  0.46  1.0
  Ag  Ag0  1  0.01  0.0  0.41  1.0
  Ag  Ag1  1  0.25  0.0  0.82  1.0

data_Zr2Ag
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.22
_cell_length_b   5.74
_cell_length_c   7.75
_cell_angle_alpha   109.98
_cell_angle_beta   90.0
_cell_angle_gamma   106.27
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr2Ag
_chemical_formula_sum   'Zr4 Ag2'
_cell_volume   128.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.34  0.84  1.0
  Zr  Zr1  2  0.0  0.44  0.49  1.0
  Ag  Ag2  2  0.0  0.38  0.8  1.0

Zr Zr Zr Zr Ag Ag
Zr Zr Zr Zr Ag Ag 0 5 o o o 1 2 o o o 3 4 + o o 