data_[Pr12Co4Ag2I6]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2994]
_cell_length_b [4.2037]
_cell_length_c [9.5825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Co2AgI3]
_chemical_formula_sum '[Pr12 Co4 Ag2 I6]'
_cell_volume [760.0627]
_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  0.0293  0.0000  0.2483  1.0
  Pr  Pr1  4  0.1636  0.5000  0.1428  1.0
  Pr  Pr2  4  0.1846  0.5000  0.5526  1.0
  Co  Co3  4  0.1695  0.0000  0.3415  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1626  0.0000  0.8363  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]