data_In2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   7.12
_cell_angle_alpha   105.36
_cell_angle_beta   105.36
_cell_angle_gamma   57.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AuSe
_chemical_formula_sum   'In2 Au1 Se1'
_cell_volume   97.73
_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  0.89  0.0  0.78  1.0
  In  In2  1  0.22  0.0  0.01  1.0
  Au  Au0  1  0.56  0.0  0.39  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_In2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.14
_cell_length_c   7.12
_cell_angle_alpha   105.36
_cell_angle_beta   90.0
_cell_angle_gamma   118.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AuSe
_chemical_formula_sum   'In2 Au1 Se1'
_cell_volume   97.73
_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  0.11  0.22  1.0
  In  In1  1  0.0  0.78  0.99  1.0
  Au  Au2  1  0.0  0.44  0.61  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

In In Au Se