data_[Pr12Ge4Ru2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3361]
_cell_length_b [4.2438]
_cell_length_c [9.1472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2RuBr3]
_chemical_formula_sum '[Pr12 Ge4 Ru2 Br6]'
_cell_volume [721.0590]
_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  4  0.0055  0.0000  0.2177  1.0
  Pr  Pr1  4  0.1478  0.5000  0.1025  1.0
  Pr  Pr2  4  0.1752  0.5000  0.5667  1.0
  Ge  Ge3  4  0.1650  0.0000  0.3389  1.0
  Ru  Ru4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1732  0.0000  0.8360  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]