data_[Dy12Cu4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [7.7471]
_cell_length_b [7.1225]
_cell_length_c [16.9338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [Dy3CuSe6]
_chemical_formula_sum '[Dy12 Cu4 Se24]'
_cell_volume [934.3814]
_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  0.0554  0.7713  0.5882  1
  Dy  Dy1  4  0.0586  0.7377  0.2528  1
  Dy  Dy2  4  0.0604  0.7541  0.9088  1
  Cu  Cu3  4  0.2089  0.3994  0.5231  1
  Se  Se4  4  0.0903  0.6131  0.0839  1
  Se  Se5  4  0.0929  0.6170  0.4196  1
  Se  Se6  4  0.0981  0.6173  0.7487  1
  Se  Se7  4  0.2479  0.0719  0.3262  1
  Se  Se8  4  0.2492  0.0671  0.4987  1
  Se  Se9  4  0.2499  0.0729  0.6771  1
]