data_[Dy12Y3Cu3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9216]
_cell_length_b [7.9216]
_cell_length_c [19.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Dy4YCuS8]
_chemical_formula_sum '[Dy12 Y3 Cu3 S24]'
_cell_volume [1054.7169]
_cell_formula_units_Z [3]
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  9  0.0127  0.5063  0.5016  1.0
  Dy  Dy1  3  0.0000  0.0000  0.3749  1.0
  Y  Y2  3  0.0000  0.0000  0.9952  1.0
  Cu  Cu3  3  0.0000  0.0000  0.6257  1.0
  S  S4  9  0.0237  0.5118  0.7530  1.0
  S  S5  9  0.1686  0.3373  0.5826  1.0
  S  S6  3  0.0000  0.0000  0.2410  1.0
  S  S7  3  0.0000  0.0000  0.7516  1.0
]