data_[Tl2Co2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8066]
_cell_length_b [7.2460]
_cell_length_c [7.8515]
_cell_angle_alpha [63.1295]
_cell_angle_beta [64.6721]
_cell_angle_gamma [75.9402]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCoS4]
_chemical_formula_sum '[Tl2 Co2 S8]'
_cell_volume [311.6306]
_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
[
  Tl  Tl0  2  0.2067  0.2967  0.4185  1
  Co  Co1  2  0.2508  0.0079  0.9955  1
  S  S2  2  0.0024  0.1187  0.2299  1
  S  S3  2  0.0599  0.7763  0.0336  1
  S  S4  2  0.4583  0.7849  0.1606  1
  S  S5  2  0.4959  0.0800  0.6788  1
]