data_[Pr12Si4Sb2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0996]
_cell_length_b [4.4446]
_cell_length_c [9.2446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Si2SbI3]
_chemical_formula_sum '[Pr12 Si4 Sb2 I6]'
_cell_volume [791.9948]
_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  4  0.0206  0.0000  0.2453  1.0
  Pr  Pr1  4  0.1658  0.5000  0.1318  1.0
  Pr  Pr2  4  0.1782  0.5000  0.5581  1.0
  Si  Si3  4  0.1691  0.0000  0.3400  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1636  0.0000  0.8348  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]