data_[Pr12Ru4S2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2359]
_cell_length_b [12.5292]
_cell_length_c [8.1314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ru2SBr3]
_chemical_formula_sum '[Pr12 Ru4 S2 Br6]'
_cell_volume [704.2120]
_cell_formula_units_Z [2]
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  8  0.2392  0.1735  0.1984  1
  Pr  Pr1  4  0.2188  0.5000  0.1982  1
  Ru  Ru2  4  0.0000  0.3332  0.0000  1
  S  S3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.1657  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]