data_TiCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.56
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   96.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrIn2
_chemical_formula_sum   'Ti1 Cr1 In2'
_cell_volume   73.58
_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
  Ti  Ti3  1  0.01  0.0  0.7  1.0
  Cr  Cr0  1  0.49  0.28  0.03  1.0
  In  In1  1  0.23  0.0  0.18  1.0
  In  In2  1  0.33  0.28  0.55  1.0

data_TiCrIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.56
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   96.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrIn2
_chemical_formula_sum   'Ti1 Cr1 In2'
_cell_volume   73.58
_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
  Ti  Ti0  1  0.01  0.0  0.7  1.0
  Cr  Cr1  1  0.49  0.28  0.03  1.0
  In  In2  1  0.23  0.0  0.18  1.0
  In  In3  1  0.33  0.28  0.55  1.0

Ti Cr In In