data_[Pr6C2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7352]
_cell_length_b [9.2322]
_cell_length_c [9.3508]
_cell_angle_alpha [107.3540]
_cell_angle_beta [96.9964]
_cell_angle_gamma [104.9948]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr3CBr5]
_chemical_formula_sum '[Pr6 C2 Br10]'
_cell_volume [601.1564]
_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  0.0324  0.7216  0.9190  1.0
  Pr  Pr1  2  0.1142  0.0453  0.7696  1.0
  Pr  Pr2  2  0.3843  0.1480  0.1970  1.0
  C  C3  2  0.0899  0.0326  0.0448  1.0
  Br  Br4  2  0.0897  0.3724  0.8235  1.0
  Br  Br5  2  0.1894  0.7369  0.6471  1.0
  Br  Br6  2  0.2453  0.0834  0.4610  1.0
  Br  Br7  2  0.3375  0.4614  0.2755  1.0
  Br  Br8  2  0.4591  0.8180  0.0858  1.0
]