data_[Ti2In2Co2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3280]
_cell_length_b [3.4928]
_cell_length_c [9.0386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiInCoS3]
_chemical_formula_sum '[Ti2 In2 Co2 S6]'
_cell_volume [241.3280]
_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
[
  Ti  Ti0  2  0.3074  0.7500  0.8376  1.0
  In  In1  2  0.2342  0.2500  0.2330  1.0
  Co  Co2  2  0.0853  0.2500  0.6062  1.0
  S  S3  2  0.1155  0.2500  0.8645  1.0
  S  S4  2  0.2055  0.7500  0.5418  1.0
  S  S5  2  0.4695  0.7500  0.1416  1.0
]