data_[Dy8Sc2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2001]
_cell_length_b [3.9361]
_cell_length_c [12.0737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Dy4ScSe7]
_chemical_formula_sum '[Dy8 Sc2 Se14]'
_cell_volume [607.2222]
_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  2  0.1119  0.0000  0.4286  1
  Dy  Dy1  2  0.1988  0.5000  0.8048  1
  Dy  Dy2  2  0.3009  0.0000  0.1917  1
  Dy  Dy3  2  0.4993  0.5000  0.9968  1
  Sc  Sc4  2  0.3876  0.5000  0.5766  1
  Se  Se5  2  0.0353  0.0000  0.7771  1
  Se  Se6  2  0.1601  0.5000  0.0502  1
  Se  Se7  2  0.2443  0.5000  0.3586  1
  Se  Se8  2  0.2668  0.0000  0.6467  1
  Se  Se9  2  0.3380  0.0000  0.9484  1
  Se  Se10  2  0.4624  0.5000  0.2160  1
  Se  Se11  2  0.4944  0.0000  0.5046  1
]