data_[In3Co9Sn3S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3105]
_cell_length_b [5.3105]
_cell_length_c [13.6621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [InCo3SnS2]
_chemical_formula_sum '[In3 Co9 Sn3 S6]'
_cell_volume [333.6749]
_cell_formula_units_Z [3]
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
[
  In  In0  3  -0.0000  -0.0000  0.5000  1.0
  Co  Co1  9  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  S  S3  6  0.0000  0.0000  0.2214  1.0
]