data_[Pr12Ge4S2Br6]
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
  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 [7.3969]
_cell_length_b [12.7989]
_cell_length_c [7.7967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2SBr3]
_chemical_formula_sum '[Pr12 Ge4 S2 Br6]'
_cell_volume [699.9385]
_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  0.2327  0.1633  0.2088  1.0
  Pr  Pr1  4  0.2455  0.5000  0.2094  1.0
  Ge  Ge2  4  0.0000  0.3338  0.0000  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1711  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]