data_[K9Sm9Nb3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3186]
_cell_length_b [8.3186]
_cell_length_c [23.6186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Sm3NbSe8]
_chemical_formula_sum '[K9 Sm9 Nb3 Se24]'
_cell_volume [1415.4360]
_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
[
  K  K0  9  0.0000  0.5000  0.5000  1.0
  Sm  Sm1  9  0.0000  0.5000  0.0000  1.0
  Nb  Nb2  3  0.0000  0.0000  0.0000  1.0
  Se  Se3  18  0.0261  0.5131  0.7320  1.0
  Se  Se4  6  0.0000  0.0000  0.2630  1.0
]