data_In2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   30.87
_cell_angle_beta   30.87
_cell_angle_gamma   30.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AuBr
_chemical_formula_sum   'In2 Au1 Br1'
_cell_volume   111.28
_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  0.0  0.0  0.03  1.0
  In  In3  1  0.0  0.0  0.27  1.0
  Au  Au0  1  0.0  0.0  0.15  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_In2AuBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.2
_cell_length_b   4.16
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2AuBr
_chemical_formula_sum   'In4 Au2 Br2'
_cell_volume   222.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.73  1.0
  In  In1  2  -0.0  0.0  0.97  1.0
  Au  Au2  2  -0.0  0.0  0.85  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

In In Au Br
In In Au Br 0 3 o o o 0 2 o o o 1 2 o o o 