data_[Y12Sn2Te4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  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 [7.3386]
_cell_length_b [12.6510]
_cell_length_c [7.4001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6SnTe2Se3]
_chemical_formula_sum '[Y12 Sn2 Te4 Se6]'
_cell_volume [648.8796]
_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  0.2490  0.3390  0.7274  1.0
  Y  Y1  4  0.2298  0.0000  0.7264  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.3340  0.0000  1.0
  Se  Se4  4  0.0000  0.1706  0.5000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]