data_TlFeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   8.92
_cell_angle_alpha   97.09
_cell_angle_beta   97.09
_cell_angle_gamma   59.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeCl2
_chemical_formula_sum   'Tl1 Fe1 Cl2'
_cell_volume   94.15
_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  0.41  0.0  0.42  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.08  0.0  0.43  1.0
  Cl  Cl1  1  0.75  0.0  0.4  1.0

data_TlFeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.51
_cell_length_c   8.92
_cell_angle_alpha   97.09
_cell_angle_beta   90.0
_cell_angle_gamma   119.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeCl2
_chemical_formula_sum   'Tl1 Fe1 Cl2'
_cell_volume   94.15
_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  0.59  0.58  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.25  0.6  1.0
  Cl  Cl3  1  0.0  0.92  0.57  1.0

Tl Fe Cl Cl