data_TlIn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   5.31
_cell_angle_alpha   95.92
_cell_angle_beta   95.92
_cell_angle_gamma   34.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Cl
_chemical_formula_sum   'Tl1 In2 Cl1'
_cell_volume   117.34
_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  0.71  0.0  0.64  1.0
  In  In1  1  0.85  0.0  0.29  1.0
  In  In2  1  0.58  0.0  0.99  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlIn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.31
_cell_length_c   6.28
_cell_angle_alpha   95.92
_cell_angle_beta   107.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Cl
_chemical_formula_sum   'Tl1 In2 Cl1'
_cell_volume   117.34
_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  0.64  0.71  1.0
  In  In1  1  0.0  0.29  0.85  1.0
  In  In2  1  0.0  0.99  0.58  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl In In Cl