data_[Dy4Ge4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8596]
_cell_length_b [10.1360]
_cell_length_c [6.5018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [DyGeS3]
_chemical_formula_sum '[Dy4 Ge4 S12]'
_cell_volume [447.3217]
_cell_formula_units_Z [4]
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  0.3871  0.1173  0.2577  1
  Ge  Ge1  4  0.1416  0.7178  0.9166  1
  S  S2  4  0.1148  0.2031  0.9106  1
  S  S3  4  0.2525  0.5237  0.0676  1
  S  S4  4  0.4145  0.6525  0.5961  1
]