data_[Sm3Dy3Ho6Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2322]
_cell_length_b [7.2322]
_cell_length_c [19.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SmDy(HoSe3)2]
_chemical_formula_sum '[Sm3 Dy3 Ho6 Se18]'
_cell_volume [882.1866]
_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
[
  Sm  Sm0  3  0.0000  0.0000  0.8151  1.0
  Dy  Dy1  3  0.0000  0.0000  0.3179  1.0
  Ho  Ho2  3  0.0000  0.0000  0.0126  1.0
  Ho  Ho3  3  0.0000  0.0000  0.5145  1.0
  Se  Se4  9  0.0287  0.3580  0.5839  1.0
  Se  Se5  9  0.0386  0.6796  0.0834  1.0
]