data_[Co6P2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1068]
_cell_length_b [10.7073]
_cell_length_c [18.6636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Co3PI3]
_chemical_formula_sum '[Co6 P2 I6]'
_cell_volume [1620.0331]
_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
[
  Co  Co0  4  0.4717  0.3824  0.5185  1
  Co  Co1  2  0.2402  0.5000  0.4726  1
  P  P2  2  0.4790  0.5000  0.4283  1
  I  I3  4  0.2016  0.2677  0.4688  1
  I  I4  2  0.0911  0.0000  0.6246  1
]