data_[Pr20Os8Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.2113]
_cell_length_b [8.1429]
_cell_length_c [8.1246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(OsBr)2]
_chemical_formula_sum '[Pr20 Os8 Br8]'
_cell_volume [1072.5050]
_cell_formula_units_Z [4]
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  16  0.1108  0.1561  0.3462  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Os  Os2  8  0.0000  0.1399  0.6402  1
  Br  Br3  8  0.2101  0.0000  0.0000  1
]