data_TlCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96
_cell_length_b   9.96
_cell_length_c   9.96
_cell_angle_alpha   18.86
_cell_angle_beta   18.86
_cell_angle_gamma   18.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrIn2
_chemical_formula_sum   'Tl1 Cr1 In2'
_cell_volume   90.24
_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  0.0  0.0  0.67  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.58  1.0
  In  In2  1  0.0  0.0  0.77  1.0

data_TlCrIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.65
_cell_length_b   3.26
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   100.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCrIn2
_chemical_formula_sum   'Tl2 Cr2 In4'
_cell_volume   180.49
_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  0.33  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.0  0.0  0.23  1.0
  In  In3  2  0.0  0.0  0.42  1.0

Tl Cr In In