data_[Pr12Co4Ge2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  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 [20.1117]
_cell_length_b [4.2173]
_cell_length_c [9.4642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Co2GeI3]
_chemical_formula_sum '[Pr12 Co4 Ge2 I6]'
_cell_volume [748.1117]
_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  0.0258  0.0000  0.2375  1.0
  Pr  Pr1  4  0.1608  0.5000  0.1385  1.0
  Pr  Pr2  4  0.1833  0.5000  0.5529  1.0
  Co  Co3  4  0.1705  0.0000  0.3433  1.0
  Ge  Ge4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1610  0.0000  0.8412  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]