data_[Pr24Ga3P9Br12]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4601]
_cell_length_b [8.4601]
_cell_length_c [22.3117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8GaP3Br4]
_chemical_formula_sum '[Pr24 Ga3 P9 Br12]'
_cell_volume [1382.9613]
_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  0.0060  0.5030  0.2645  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2666  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0000  1.0
  P  P3  9  0.0000  0.5000  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
]