data_[In1As1Au2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7825]
_cell_length_b [6.7168]
_cell_length_c [7.0365]
_cell_angle_alpha [70.7197]
_cell_angle_beta [87.7945]
_cell_angle_gamma [66.8701]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InAs(AuSe2)2]
_chemical_formula_sum '[In1 As1 Au2 Se4]'
_cell_volume [235.9188]
_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  0.4390  0.0150  0.0390  1.0
  As  As1  1  0.6854  0.4921  0.7798  1.0
  Au  Au2  1  0.1672  0.0375  0.5167  1.0
  Au  Au3  1  0.2054  0.5586  0.0468  1.0
  Se  Se4  1  0.1270  0.3046  0.6956  1.0
  Se  Se5  1  0.3116  0.7570  0.3408  1.0
  Se  Se6  1  0.6531  0.2681  0.1365  1.0
  Se  Se7  1  0.7983  0.7931  0.8318  1.0
]