data_[Pr12Ga2Os4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Os  2.2000  1.3000  0.6730
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4265]
_cell_length_b [12.8746]
_cell_length_c [8.5280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GaOs2I3]
_chemical_formula_sum '[Pr12 Ga2 Os4 I6]'
_cell_volume [779.8430]
_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  0.2405  0.1775  0.1895  1
  Pr  Pr1  4  0.2088  0.5000  0.1892  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  Os  Os3  4  0.0000  0.3333  0.0000  1
  I  I4  4  0.0000  0.1640  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]