data_[Ta2Tl2Co2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [P2_1/m]
_cell_length_a [8.4902]
_cell_length_b [3.4755]
_cell_length_c [9.3861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaTlCoS3]
_chemical_formula_sum '[Ta2 Tl2 Co2 S6]'
_cell_volume [250.3600]
_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
[
  Ta  Ta0  2  0.2984  0.7500  0.8293  1.0
  Tl  Tl1  2  0.2500  0.2500  0.2662  1.0
  Co  Co2  2  0.0832  0.2500  0.6117  1.0
  S  S3  2  0.1098  0.2500  0.8602  1.0
  S  S4  2  0.2109  0.7500  0.5495  1.0
  S  S5  2  0.4680  0.7500  0.1346  1.0
]