data_[Tl2Co8F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7972]
_cell_length_b [3.2152]
_cell_length_c [10.2946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCo4F8]
_chemical_formula_sum '[Tl2 Co8 F16]'
_cell_volume [362.2221]
_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  0.0000  0.5000  0.0000  1
  Co  Co1  4  0.1474  0.5000  0.4809  1
  Co  Co2  4  0.1589  0.0000  0.8173  1
  F  F3  4  0.0389  0.5000  0.7276  1
  F  F4  4  0.1451  0.0000  0.6062  1
  F  F5  4  0.1627  0.0000  0.3603  1
  F  F6  4  0.2134  0.0000  0.0659  1
]