data_[Y12Sb6Te2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7598]
_cell_length_b [4.3096]
_cell_length_c [8.5935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Sb3TeSe2]
_chemical_formula_sum '[Y12 Sb6 Te2 Se4]'
_cell_volume [676.9711]
_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  0.0057  0.0000  0.2598  1.0
  Y  Y1  4  0.1701  0.5000  0.5783  1.0
  Y  Y2  4  0.1721  0.5000  0.0933  1.0
  Sb  Sb3  4  0.1627  0.0000  0.8317  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  4  0.1682  0.0000  0.3341  1.0
]