data_[Pr12Ag2Os4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3678]
_cell_length_b [12.7718]
_cell_length_c [8.2627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6AgOs2Br3]
_chemical_formula_sum '[Pr12 Ag2 Os4 Br6]'
_cell_volume [742.5743]
_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  8  0.2473  0.1812  0.1990  1.0
  Pr  Pr1  4  0.2034  0.5000  0.1987  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Os  Os3  4  0.0000  0.3335  0.0000  1.0
  Br  Br4  4  0.0000  0.1682  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]