data_[Dy12In2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9086]
_cell_length_b [3.9253]
_cell_length_c [12.1035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Dy6InSe3]
_chemical_formula_sum '[Dy12 In2 Se6]'
_cell_volume [540.1524]
_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  0.0809  0.7500  0.9069  1
  Dy  Dy1  2  0.1350  0.2500  0.4737  1
  Dy  Dy2  2  0.2019  0.7500  0.2529  1
  Dy  Dy3  2  0.2758  0.7500  0.7363  1
  Dy  Dy4  2  0.3813  0.2500  0.0712  1
  Dy  Dy5  2  0.5000  0.7500  0.3568  1
  In  In6  2  0.0500  0.2500  0.6950  1
  Se  Se7  2  0.1476  0.2500  0.0785  1
  Se  Se8  2  0.3339  0.7500  0.5079  1
  Se  Se9  2  0.4384  0.2500  0.8547  1
]