data_InAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.42
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2Bi
_chemical_formula_sum   'In1 Ag2 Bi1'
_cell_volume   92.87
_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  In3  1  0.0  0.0  0.9  1.0
  Ag  Ag0  1  0.67  0.21  0.01  1.0
  Ag  Ag1  1  0.0  0.0  0.48  1.0
  Bi  Bi2  1  0.67  0.21  0.03  1.0

data_InAg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.42
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2Bi
_chemical_formula_sum   'In1 Ag2 Bi1'
_cell_volume   92.87
_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  0.9  1.0
  Ag  Ag1  1  0.0  0.0  0.48  1.0
  Ag  Ag2  1  0.67  0.21  0.01  1.0
  Bi  Bi3  1  0.67  0.21  0.03  1.0

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