data_[Y12Te6Ir4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8381]
_cell_length_b [4.1941]
_cell_length_c [8.6478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3Ir2Se]
_chemical_formula_sum '[Y12 Te6 Ir4 Se2]'
_cell_volume [656.0505]
_cell_formula_units_Z [2]
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
[
  Y  Y0  4  0.0180  0.0000  0.2483  1.0
  Y  Y1  4  0.1682  0.5000  0.1318  1.0
  Y  Y2  4  0.1746  0.5000  0.5681  1.0
  Te  Te3  4  0.1592  0.0000  0.8470  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir5  4  0.1695  0.0000  0.3456  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]