data_[Dy12C4S6Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7406]
_cell_length_b [3.7766]
_cell_length_c [7.8936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6C2S3Br]
_chemical_formula_sum '[Dy12 C4 S6 Br2]'
_cell_volume [487.9469]
_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  0.0219  0.0000  0.2846  1
  Dy  Dy1  4  0.1754  0.5000  0.5648  1
  Dy  Dy2  4  0.1791  0.5000  0.1330  1
  C  C3  4  0.1701  0.0000  0.3357  1
  S  S4  4  0.1577  0.0000  0.8384  1
  S  S5  2  0.0000  0.5000  0.5000  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]