data_[Pr4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5322]
_cell_length_b [4.1704]
_cell_length_c [13.8186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2Br5]
_chemical_formula_sum '[Pr4 Br10]'
_cell_volume [490.9386]
_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  0.0938  0.2500  0.1536  1.0
  Pr  Pr1  2  0.4168  0.7500  0.3434  1.0
  Br  Br2  2  0.0580  0.7500  0.3104  1.0
  Br  Br3  2  0.1358  0.2500  0.9293  1.0
  Br  Br4  2  0.3178  0.2500  0.4865  1.0
  Br  Br5  2  0.3423  0.7500  0.1243  1.0
  Br  Br6  2  0.3638  0.7500  0.7182  1.0
]