data_[Pr6Si2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4619]
_cell_length_b [4.2359]
_cell_length_c [6.0346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3SiBr2]
_chemical_formula_sum '[Pr6 Si2 Br4]'
_cell_volume [346.9068]
_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  0.1434  0.5000  0.6162  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1723  0.5000  0.1399  1.0
]