data_[Y12Te6As4S2]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5825]
_cell_length_b [4.1695]
_cell_length_c [8.5218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3As2S]
_chemical_formula_sum '[Y12 Te6 As4 S2]'
_cell_volume [636.0603]
_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  0.0062  0.0000  0.2202  1.0
  Y  Y1  4  0.1537  0.5000  0.0962  1.0
  Y  Y2  4  0.1730  0.5000  0.5639  1.0
  Te  Te3  4  0.1682  0.0000  0.8341  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1665  0.0000  0.3312  1.0
  S  S6  2  0.0000  0.5000  0.0000  1.0
]