data_[Pr24Ga9Hg3Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7469]
_cell_length_b [8.7469]
_cell_length_c [21.7533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Ga3HgBr4]
_chemical_formula_sum '[Pr24 Ga9 Hg3 Br12]'
_cell_volume [1441.3465]
_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  18  0.0100  0.5050  0.2551  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2581  1.0
  Ga  Ga2  9  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  3  0.0000  0.0000  0.0000  1.0
  Br  Br4  9  0.0000  0.5000  0.5000  1.0
  Br  Br5  3  -0.0000  -0.0000  0.5000  1.0
]