data_[Pr24Zn9Ga3Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4105]
_cell_length_b [8.4105]
_cell_length_c [22.8950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Zn3GaBr4]
_chemical_formula_sum '[Pr24 Zn9 Ga3 Br12]'
_cell_volume [1402.5256]
_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  0.0003  0.5002  0.7556  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2446  1.0
  Zn  Zn2  9  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  3  -0.0000  -0.0000  0.5000  1.0
  Br  Br4  9  0.0000  0.5000  0.0000  1.0
  Br  Br5  3  0.0000  0.0000  0.0000  1.0
]