data_[Co1Pb1C2I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3111]
_cell_length_b [4.3111]
_cell_length_c [7.4925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CoPbC2I]
_chemical_formula_sum '[Co1 Pb1 C2 I1]'
_cell_volume [139.2529]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Pb  Pb1  1  0.0000  0.0000  0.0000  1
  C  C2  2  0.0000  0.5000  0.0000  1
  I  I3  1  0.0000  0.0000  0.5000  1
]