data_[Y12Te2As6S4]
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 [17.9107]
_cell_length_b [4.1077]
_cell_length_c [8.2460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6TeAs3S2]
_chemical_formula_sum '[Y12 Te2 As6 S4]'
_cell_volume [590.4711]
_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  0.0025  0.0000  0.2717  1.0
  Y  Y1  4  0.1677  0.5000  0.5840  1.0
  Y  Y2  4  0.1756  0.5000  0.0882  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1633  0.0000  0.8317  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  S  S6  4  0.1686  0.0000  0.3353  1.0
]