data_[Pr6Sn2S2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2877]
_cell_length_b [4.2634]
_cell_length_c [10.7822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3SnSBr]
_chemical_formula_sum '[Pr6 Sn2 S2 Br2]'
_cell_volume [357.8605]
_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  2  0.1850  0.7500  0.4891  1
  Pr  Pr1  2  0.1874  0.7500  0.1128  1
  Pr  Pr2  2  0.3278  0.2500  0.8397  1
  Sn  Sn3  2  0.0136  0.7500  0.7482  1
  S  S4  2  0.4164  0.2500  0.1131  1
  Br  Br5  2  0.4649  0.2500  0.6125  1
]