data_[K3Pr3Ga6I18]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3587]
_cell_length_b [8.3587]
_cell_length_c [22.7407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KPr(GaI3)2]
_chemical_formula_sum '[K3 Pr3 Ga6 I18]'
_cell_volume [1375.9815]
_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  3  0.0000  0.0000  0.1855  1.0
  Pr  Pr1  3  0.0000  0.0000  0.6753  1.0
  Ga  Ga2  3  0.0000  0.0000  0.4887  1.0
  Ga  Ga3  3  0.0000  0.0000  0.9943  1.0
  I  I4  9  0.0030  0.3526  0.4130  1.0
  I  I5  9  0.0245  0.6315  0.2518  1.0
]