data_[Pr12Os4C2Br6]
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
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1131]
_cell_length_b [12.3115]
_cell_length_c [8.0665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Os2CBr3]
_chemical_formula_sum '[Pr12 Os4 C2 Br6]'
_cell_volume [675.8655]
_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  0.2193  0.1571  0.1884  1.0
  Pr  Pr1  4  0.2476  0.5000  0.1887  1.0
  Os  Os2  4  0.0000  0.3331  0.0000  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1651  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]