data_[Pr12P2Os4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
  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 [7.4061]
_cell_length_b [12.8171]
_cell_length_c [8.4128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6POs2I3]
_chemical_formula_sum '[Pr12 P2 Os4 I6]'
_cell_volume [762.9648]
_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  0.2330  0.1720  0.1868  1
  Pr  Pr1  4  0.2180  0.5000  0.1861  1
  P  P2  2  0.0000  0.0000  0.0000  1
  Os  Os3  4  0.0000  0.3330  0.0000  1
  I  I4  4  0.0000  0.1646  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]