data_[Pr12In2Ge4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0293]
_cell_length_b [4.3801]
_cell_length_c [9.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6InGe2I3]
_chemical_formula_sum '[Pr12 In2 Ge4 I6]'
_cell_volume [791.1972]
_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  0.0137  0.0000  0.2452  1.0
  Pr  Pr1  4  0.1626  0.5000  0.1228  1.0
  Pr  Pr2  4  0.1784  0.5000  0.5606  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1678  0.0000  0.3394  1.0
  I  I5  4  0.1656  0.0000  0.8345  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]