data_[Pr12Ge4Pb2Br6]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3865]
_cell_length_b [4.4147]
_cell_length_c [8.9142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2PbBr3]
_chemical_formula_sum '[Pr12 Ge4 Pb2 Br6]'
_cell_volume [743.3091]
_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  0.0129  0.0000  0.2549  1
  Pr  Pr1  4  0.1680  0.5000  0.1185  1
  Pr  Pr2  4  0.1753  0.5000  0.5690  1
  Ge  Ge3  4  0.1679  0.0000  0.3393  1
  Pb  Pb4  2  0.0000  0.5000  0.0000  1
  Br  Br5  4  0.1646  0.0000  0.8350  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]