data_[Pr12Ni2Os4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  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 [7.1599]
_cell_length_b [12.4014]
_cell_length_c [8.2562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6NiOs2Br3]
_chemical_formula_sum '[Pr12 Ni2 Os4 Br6]'
_cell_volume [701.7845]
_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  0.2340  0.1685  0.1965  1.0
  Pr  Pr1  4  0.2287  0.5000  0.1965  1.0
  Ni  Ni2  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  0.1686  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]