data_[Dy8Zr4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5077]
_cell_length_b [13.5748]
_cell_length_c [13.3703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Dy2ZrSe5]
_chemical_formula_sum '[Dy8 Zr4 Se20]'
_cell_volume [999.6358]
_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  8  0.0000  0.1487  0.5596  1.0
  Zr  Zr1  4  0.0000  0.1937  0.2500  1.0
  Se  Se2  8  0.0000  0.0483  0.1232  1.0
  Se  Se3  8  0.0000  0.3150  0.0811  1.0
  Se  Se4  4  0.0000  0.2616  0.7500  1.0
]