data_[Pr12Ga2Ge4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2267]
_cell_length_b [4.3290]
_cell_length_c [8.8713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GaGe2Br3]
_chemical_formula_sum '[Pr12 Ga2 Ge4 Br6]'
_cell_volume [715.3727]
_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  0.0069  0.0000  0.2342  1.0
  Pr  Pr1  4  0.1595  0.5000  0.1018  1.0
  Pr  Pr2  4  0.1749  0.5000  0.5645  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1665  0.0000  0.3337  1.0
  Br  Br5  4  0.1675  0.0000  0.8328  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]