data_[Pr12Ge4P6Br2]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6243]
_cell_length_b [4.2229]
_cell_length_c [8.6264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2P3Br]
_chemical_formula_sum '[Pr12 Ge4 P6 Br2]'
_cell_volume [659.7034]
_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  0.0007  0.0000  0.7278  1.0
  Pr  Pr1  4  0.1659  0.5000  0.5894  1.0
  Pr  Pr2  4  0.1728  0.5000  0.0816  1.0
  Ge  Ge3  4  0.1648  0.0000  0.3305  1.0
  P  P4  4  0.1637  0.0000  0.8349  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Br  Br6  2  0.0000  0.5000  0.0000  1.0
]