data_[Dy12Te2P4S6]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5230]
_cell_length_b [4.0023]
_cell_length_c [8.0794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6TeP2S3]
_chemical_formula_sum '[Dy12 Te2 P4 S6]'
_cell_volume [552.5286]
_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
[
  Dy  Dy0  4  0.0056  0.0000  0.2807  1.0
  Dy  Dy1  4  0.1700  0.5000  0.5790  1.0
  Dy  Dy2  4  0.1777  0.5000  0.1028  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1675  0.0000  0.3354  1.0
  S  S5  4  0.1620  0.0000  0.8347  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]