data_[Tl1Co1Se1Cl6]
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
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4997]
_cell_length_b [7.2532]
_cell_length_c [7.4583]
_cell_angle_alpha [80.7149]
_cell_angle_beta [67.7603]
_cell_angle_gamma [73.8427]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlCoSeCl6]
_chemical_formula_sum '[Tl1 Co1 Se1 Cl6]'
_cell_volume [311.9790]
_cell_formula_units_Z [1]
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  1  0.0303  0.9211  0.9394  1.0
  Co  Co1  1  0.7249  0.6192  0.6620  1.0
  Se  Se2  1  0.3734  0.4381  0.3247  1.0
  Cl  Cl3  1  0.2993  0.3302  0.1048  1.0
  Cl  Cl4  1  0.4034  0.6354  0.6137  1.0
  Cl  Cl5  1  0.6180  0.7998  0.9076  1.0
  Cl  Cl6  1  0.6567  0.1959  0.3479  1.0
  Cl  Cl7  1  0.9200  0.3284  0.7072  1.0
  Cl  Cl8  1  0.9741  0.7318  0.3925  1.0
]