data_[Ba3Sm3Dy12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.6063]
_cell_length_b [8.6063]
_cell_length_c [21.3128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaSm(DySe2)4]
_chemical_formula_sum '[Ba3 Sm3 Dy12 Se24]'
_cell_volume [1367.1129]
_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  3  0.0000  0.0000  0.3731  1
  Sm  Sm1  3  0.0000  0.0000  0.0019  1
  Dy  Dy2  9  0.1686  0.3373  0.8328  1
  Dy  Dy3  3  0.0000  0.0000  0.6253  1
  Se  Se4  9  0.0423  0.5212  0.7578  1
  Se  Se5  9  0.1746  0.3491  0.5795  1
  Se  Se6  3  0.0000  0.0000  0.2319  1
  Se  Se7  3  0.0000  0.0000  0.7573  1
]