data_[Ba9Dy3Er9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3764]
_cell_length_b [8.3764]
_cell_length_c [22.5668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba3DyEr3Se8]
_chemical_formula_sum '[Ba9 Dy3 Er9 Se24]'
_cell_volume [1371.2609]
_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  0.0000  1
  Dy  Dy1  3  0.0000  0.0000  0.5000  1
  Er  Er2  9  0.0000  0.5000  0.5000  1
  Se  Se3  18  0.0043  0.5022  0.7634  1
  Se  Se4  6  0.0000  0.0000  0.2367  1
]