data_[In4Si4Au4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6883]
_cell_length_b [13.7953]
_cell_length_c [10.6502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [InSiAuSe3]
_chemical_formula_sum '[In4 Si4 Au4 Se12]'
_cell_volume [541.8988]
_cell_formula_units_Z [4]
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  4  0.0000  0.3141  0.2500  1
  Si  Si1  4  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.0000  0.3422  0.7500  1
  Se  Se3  8  0.0000  0.3726  0.5176  1
  Se  Se4  4  0.0000  0.0296  0.7500  1
]