data_InAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.63
_cell_length_b   13.63
_cell_length_c   13.63
_cell_angle_alpha   167.19
_cell_angle_beta   167.19
_cell_angle_gamma   18.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2
_chemical_formula_sum   'In2 Ag4'
_cell_volume   124.4
_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
  In  In4  1  0.0  0.52  0.73  1.0
  In  In5  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.52  0.0  0.88  1.0
  Ag  Ag1  1  0.0  0.0  0.3  1.0
  Ag  Ag2  1  0.52  0.0  0.57  1.0
  Ag  Ag3  1  0.0  0.0  0.61  1.0

data_InAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   13.63
_cell_angle_alpha   96.41
_cell_angle_beta   96.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2
_chemical_formula_sum   'In2 Ag4'
_cell_volume   124.4
_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
  In  In0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.79  0.52  0.79  1.0
  Ag  Ag2  1  0.12  0.0  0.64  1.0
  Ag  Ag3  1  0.39  0.0  0.39  1.0
  Ag  Ag4  1  0.43  0.0  0.95  1.0
  Ag  Ag5  1  0.7  0.0  0.7  1.0

In In Ag Ag Ag Ag
In In Ag Ag Ag Ag 0 3 o + + 0 3 o o o 1 4 - o - 1 4 o o o 2 3 o o o 2 3 + o + 2 5 o o o 5 5 + o + 5 5 o + + 