data_[In2Au3Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3462]
_cell_length_b [6.3411]
_cell_length_c [20.2274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In2(AuSe)3]
_chemical_formula_sum '[In2 Au3 Se3]'
_cell_volume [557.4640]
_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  0.0772  0.5000  0.5704  1
  In  In1  1  0.4372  0.0000  0.5039  1
  Au  Au2  2  0.9294  0.2101  0.4434  1
  Au  Au3  1  0.4029  0.5000  0.4466  1
  Se  Se4  2  0.5813  0.2306  0.6169  1
  Se  Se5  1  0.8254  0.5000  0.3585  1
]