data_[Y12Zn2Te6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  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 [7.3211]
_cell_length_b [12.6037]
_cell_length_c [7.4727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6ZnTe3Se2]
_chemical_formula_sum '[Y12 Zn2 Te6 Se4]'
_cell_volume [652.9092]
_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  8  0.2342  0.1616  0.2199  1.0
  Y  Y1  4  0.2484  0.0000  0.7783  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.1706  0.5000  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  Se  Se5  4  0.0000  0.3345  0.0000  1.0
]