data_Tl2InCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.17
_cell_length_b   10.17
_cell_length_c   10.17
_cell_angle_alpha   21.05
_cell_angle_beta   21.05
_cell_angle_gamma   21.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InCl
_chemical_formula_sum   'Tl2 In1 Cl1'
_cell_volume   118.81
_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  Tl2  1  0.0  0.0  0.16  1.0
  Tl  Tl3  1  0.0  0.0  0.25  1.0
  In  In1  1  0.0  0.0  0.61  1.0
  Cl  Cl0  1  0.0  0.0  0.71  1.0

data_Tl2InCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   3.72
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   102.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2InCl
_chemical_formula_sum   'Tl4 In2 Cl2'
_cell_volume   237.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.75  1.0
  Tl  Tl1  2  0.0  0.0  0.84  1.0
  In  In2  2  -0.0  0.0  0.39  1.0
  Cl  Cl3  2  -0.0  0.0  0.29  1.0

Tl Tl In Cl
Tl Tl In Cl 0 1 o o o 2 3 o o o 