data_[K18Sb6Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [11.7763]
_cell_length_b [11.7763]
_cell_length_c [13.6728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [K3SbSe4]
_chemical_formula_sum '[K18 Sb6 Se24]'
_cell_volume [1642.1139]
_cell_formula_units_Z [6]
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  18  0.1349  0.3403  0.8395  1.0
  Sb  Sb1  6  0.0000  0.0000  0.4983  1.0
  Se  Se2  18  0.1967  0.4334  0.1041  1.0
  Se  Se3  6  0.0000  0.0000  0.1822  1.0
]