data_[K9Ga3Bi9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2968]
_cell_length_b [8.2968]
_cell_length_c [24.1465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3GaBi3Se8]
_chemical_formula_sum '[K9 Ga3 Bi9 Se24]'
_cell_volume [1439.4909]
_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  0.0000  1.0
  Ga  Ga1  3  -0.0000  -0.0000  0.5000  1.0
  Bi  Bi2  9  0.0000  0.5000  0.5000  1.0
  Se  Se3  18  0.0319  0.5160  0.2312  1.0
  Se  Se4  6  0.0000  0.0000  0.2377  1.0
]