data_ZnAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2
_chemical_formula_sum   'Zn2 Ag4'
_cell_volume   101.07
_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
  Zn  Zn4  1  0.0  0.62  0.41  1.0
  Zn  Zn5  1  0.27  0.31  0.24  1.0
  Ag  Ag0  1  0.0  0.0  0.83  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.0  0.62  0.24  1.0
  Ag  Ag3  1  0.27  0.31  0.41  1.0

data_ZnAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2
_chemical_formula_sum   'Zn2 Ag4'
_cell_volume   101.07
_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
  Zn  Zn0  1  0.0  0.62  0.41  1.0
  Zn  Zn1  1  0.27  0.31  0.24  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.83  1.0
  Ag  Ag4  1  0.0  0.62  0.24  1.0
  Ag  Ag5  1  0.27  0.31  0.41  1.0

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