data_[Sr6Co6I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1529]
_cell_length_b [4.1529]
_cell_length_c [39.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrCoI]
_chemical_formula_sum '[Sr6 Co6 I6]'
_cell_volume [585.4255]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.6502  1
  Sr  Sr1  3  0.0000  0.0000  0.7674  1
  Co  Co2  3  0.0000  0.0000  0.0422  1
  Co  Co3  3  0.0000  0.0000  0.3755  1
  I  I4  3  0.0000  0.0000  0.1554  1
  I  I5  3  0.0000  0.0000  0.9290  1
]