data_[Y8Te10S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6602]
_cell_length_b [4.2514]
_cell_length_c [8.5850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4Te5S]
_chemical_formula_sum '[Y8 Te10 S2]'
_cell_volume [663.1134]
_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  0.0016  0.0000  0.2442  1
  Y  Y1  4  0.1649  0.5000  0.0882  1
  Te  Te2  4  0.1642  0.0000  0.3347  1
  Te  Te3  4  0.1652  0.0000  0.8274  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  S  S5  2  0.0000  0.5000  0.0000  1
]