data_[Dy4Cu4Se8]
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 [P2_1/c]
_cell_length_a [6.6066]
_cell_length_b [7.3225]
_cell_length_c [7.0921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [DyCuSe2]
_chemical_formula_sum '[Dy4 Cu4 Se8]'
_cell_volume [341.2337]
_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  0.3038  0.0413  0.2014  1.0
  Cu  Cu1  4  0.0747  0.6585  0.0441  1.0
  Se  Se2  4  0.1002  0.1121  0.7828  1.0
  Se  Se3  4  0.4301  0.7246  0.0029  1.0
]