data_[Pr12Co4Ni2I6]
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
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1303]
_cell_length_b [12.3502]
_cell_length_c [8.4765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Co2NiI3]
_chemical_formula_sum '[Pr12 Co4 Ni2 I6]'
_cell_volume [716.0708]
_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  0.2311  0.1704  0.1825  1.0
  Pr  Pr1  4  0.2197  0.5000  0.1822  1.0
  Co  Co2  4  0.0000  0.3333  0.0000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1665  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]