data_[Pr12Zn2Co4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2778]
_cell_length_b [12.6402]
_cell_length_c [8.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6ZnCo2I3]
_chemical_formula_sum '[Pr12 Zn2 Co4 I6]'
_cell_volume [749.0295]
_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  0.2456  0.1805  0.1872  1.0
  Pr  Pr1  4  0.2000  0.5000  0.1843  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Co  Co3  4  0.0000  0.3323  0.0000  1.0
  I  I4  4  0.0000  0.1626  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]