data_[Sn4Te12Ir4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0843]
_cell_length_b [13.6707]
_cell_length_c [11.2042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SnTe3IrAu]
_chemical_formula_sum '[Sn4 Te12 Ir4 Au4]'
_cell_volume [625.5863]
_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
[
  Sn  Sn0  4  0.0000  0.1909  0.2500  1
  Te  Te1  8  0.0000  0.1259  0.5111  1
  Te  Te2  4  0.0000  0.4720  0.7500  1
  Ir  Ir3  4  0.0000  0.5000  0.0000  1
  Au  Au4  4  0.0000  0.1650  0.7500  1
]