data_TlCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   157.29
_cell_angle_beta   143.43
_cell_angle_gamma   43.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrIn2
_chemical_formula_sum   'Tl1 Cr1 In2'
_cell_volume   94.16
_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  0.46  0.0  0.97  1.0
  Cr  Cr0  1  0.0  0.0  0.5  1.0
  In  In1  1  0.46  0.0  0.86  1.0
  In  In2  1  0.0  0.0  0.38  1.0

data_TlCrIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.66
_cell_length_c   7.43
_cell_angle_alpha   108.28
_cell_angle_beta   101.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrIn2
_chemical_formula_sum   'Tl1 Cr1 In2'
_cell_volume   94.16
_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  0.97  0.51  1.0
  Cr  Cr1  1  0.0  0.5  0.5  1.0
  In  In2  1  0.0  0.38  0.38  1.0
  In  In3  1  0.0  0.86  0.4  1.0

Tl Cr In In
Tl Cr In In 0 2 o o o 1 3 o o o 