data_[Y12Si4Te2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6579]
_cell_length_b [4.0788]
_cell_length_c [8.2089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Si2TeS3]
_chemical_formula_sum '[Y12 Si4 Te2 S6]'
_cell_volume [577.4133]
_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  0.0046  0.0000  0.2772  1.0
  Y  Y1  4  0.1677  0.5000  0.5821  1.0
  Y  Y2  4  0.1750  0.5000  0.1001  1.0
  Si  Si3  4  0.1673  0.0000  0.3356  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1634  0.0000  0.8365  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]