data_[Ba9Nd3Dy9Se24]
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 [R-3m]
_cell_length_a [8.4689]
_cell_length_b [8.4689]
_cell_length_c [22.5788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba3NdDy3Se8]
_chemical_formula_sum '[Ba9 Nd3 Dy9 Se24]'
_cell_volume [1402.4598]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0000  1.0
  Dy  Dy2  9  0.0000  0.5000  0.0000  1.0
  Se  Se3  18  0.0105  0.5052  0.2617  1.0
  Se  Se4  6  0.0000  0.0000  0.2624  1.0
]