data_[K12Pr9Sb3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7100]
_cell_length_b [8.7100]
_cell_length_c [23.0916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K4Pr3SbSe8]
_chemical_formula_sum '[K12 Pr9 Sb3 Se24]'
_cell_volume [1517.1247]
_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
  K  K1  3  0.0000  0.0000  0.0000  1.0
  Pr  Pr2  9  0.0000  0.5000  0.5000  1.0
  Sb  Sb3  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se4  18  0.0073  0.5036  0.2365  1.0
  Se  Se5  6  0.0000  0.0000  0.2377  1.0
]