data_TlCoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   3.55
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoCl2
_chemical_formula_sum   'Tl1 Co1 Cl2'
_cell_volume   100.56
_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  Tl3  1  0.39  0.0  0.11  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.07  0.77  0.9  1.0
  Cl  Cl1  1  0.71  0.77  0.32  1.0

data_TlCoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.56
_cell_length_c   6.47
_cell_angle_alpha   105.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoCl2
_chemical_formula_sum   'Tl1 Co1 Cl2'
_cell_volume   100.56
_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  0.0  0.61  0.89  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.23  0.29  0.68  1.0
  Cl  Cl3  1  0.23  0.93  0.1  1.0

Tl Co Cl Cl
Tl Co Cl Cl 0 2 o - - 0 1 o o o 0 3 o - o 1 2 o - - 