data_In2AgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   3.31
_cell_angle_alpha   99.07
_cell_angle_beta   99.07
_cell_angle_gamma   119.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgBi
_chemical_formula_sum   'In2 Ag1 Bi1'
_cell_volume   105.48
_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  In2  1  0.04  0.31  0.57  1.0
  In  In3  1  0.04  0.69  0.57  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.12  0.0  0.0  1.0

data_In2AgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   6.08
_cell_length_c   6.21
_cell_angle_alpha   115.48
_cell_angle_beta   99.07
_cell_angle_gamma   102.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgBi
_chemical_formula_sum   'In2 Ag1 Bi1'
_cell_volume   105.48
_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  0.26  0.69  0.73  1.0
  In  In1  1  0.89  0.31  0.36  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.12  1.0

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