data_[Dy6Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.7873]
_cell_length_b [4.1736]
_cell_length_c [11.9121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Dy3BiSe6]
_chemical_formula_sum '[Dy6 Bi2 Se12]'
_cell_volume [552.6064]
_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  0.1593  0.7500  0.0795  1.0
  Dy  Dy1  2  0.3310  0.2500  0.5058  1.0
  Dy  Dy2  2  0.4307  0.7500  0.8346  1.0
  Bi  Bi3  2  0.0196  0.7500  0.6850  1.0
  Se  Se4  2  0.0800  0.2500  0.9069  1.0
  Se  Se5  2  0.1172  0.7500  0.4722  1.0
  Se  Se6  2  0.1995  0.2500  0.2544  1.0
  Se  Se7  2  0.2655  0.2500  0.7216  1.0
  Se  Se8  2  0.3948  0.7500  0.0630  1.0
  Se  Se9  2  0.4856  0.7500  0.6181  1.0
]