data_[Dy2Te1H2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8718]
_cell_length_b [3.8718]
_cell_length_c [7.9901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Dy2TeH2S]
_chemical_formula_sum '[Dy2 Te1 H2 S1]'
_cell_volume [103.7327]
_cell_formula_units_Z [1]
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
[
  Dy  Dy0  2  0.3333  0.6667  0.2745  1.0
  Te  Te1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.3333  0.6667  0.7368  1.0
  S  S3  1  0.0000  0.0000  0.5000  1.0
]