data_[Ba6Nd4Dy2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5412]
_cell_length_b [13.0738]
_cell_length_c [7.8464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Nd2DySe6]
_chemical_formula_sum '[Ba6 Nd4 Dy2 Se12]'
_cell_volume [732.9994]
_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
[
  Ba  Ba0  4  0.0000  0.1694  0.5000  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  4  0.0000  0.3343  0.0000  1.0
  Dy  Dy3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2348  0.8375  0.2178  1.0
  Se  Se5  4  0.2493  0.5000  0.2204  1.0
]