data_[Pr3In3Ga6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3220]
_cell_length_b [8.3220]
_cell_length_c [22.6964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrIn(GaI3)2]
_chemical_formula_sum '[Pr3 In3 Ga6 I18]'
_cell_volume [1361.2549]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.6755  1.0
  In  In1  3  0.0000  0.0000  0.1829  1.0
  Ga  Ga2  3  0.0000  0.0000  0.4888  1.0
  Ga  Ga3  3  0.0000  0.0000  0.9938  1.0
  I  I4  9  0.0000  0.3534  0.4136  1.0
  I  I5  9  0.0242  0.7175  0.5855  1.0
]