data_InAgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.34
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAgSb2
_chemical_formula_sum   'In1 Ag1 Sb2'
_cell_volume   104.38
_cell_formula_units_Z   1
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  In1  1  0.0  0.0  0.71  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.62  0.17  0.89  1.0
  Sb  Sb3  1  0.62  0.17  0.54  1.0

data_InAgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.34
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAgSb2
_chemical_formula_sum   'In1 Ag1 Sb2'
_cell_volume   104.38
_cell_formula_units_Z   1
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  0.71  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.62  0.17  0.54  1.0
  Sb  Sb3  1  0.62  0.17  0.89  1.0

In Ag Sb Sb
In Ag Sb Sb 0 3 - o o 0 2 - o o 0 1 o o + 1 2 - o - 